From 9c9b750c46bf02ff9783363813c4ec726aa302fd Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 3 Oct 2007 17:27:50 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@941
f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
doc/Section_commands.html | 2 +-
doc/Section_errors.html | 7 ++-
doc/Section_errors.txt | 7 ++-
doc/Section_modify.html | 95 +++++++++++++++++++++++++++++++++++----
doc/Section_modify.txt | 95 +++++++++++++++++++++++++++++++++++----
doc/Section_start.html | 61 +++++--------------------
doc/Section_start.txt | 61 +++++--------------------
doc/kspace_style.html | 47 ++++++++++++-------
doc/shape.html | 2 +-
doc/shape.txt | 2 +-
10 files changed, 241 insertions(+), 138 deletions(-)
diff --git a/doc/Section_commands.html b/doc/Section_commands.html
index 64a1b05bd8..ecca1808a8 100644
--- a/doc/Section_commands.html
+++ b/doc/Section_commands.html
@@ -435,7 +435,7 @@ description:
<A HREF = "Section_start.html#2_3">LAMMPS is built with the appropriate package</A>.
</P>
<DIV ALIGN=center><TABLE BORDER=1 >
-<TR ALIGN="center"><TD WIDTH="100"><A HREF = "ewald_n.html">ewald/n</A>
+<TR ALIGN="center"><TD WIDTH="100"><A HREF = "kspace_style.html">ewald/n</A>
</TD></TR></TABLE></DIV>
</HTML>
diff --git a/doc/Section_errors.html b/doc/Section_errors.html
index 0487e1f4e9..0333f3034f 100644
--- a/doc/Section_errors.html
+++ b/doc/Section_errors.html
@@ -110,7 +110,7 @@ request your input script and data files if necessary.
</P>
<HR>
-<H4><A NAME = "9_3"></A>9.3 Error & warning Messages
+<H4><A NAME = "9_3"></A>9.3 Error & warning messages
</H4>
<P>These are two alphabetic lists of the <A HREF = "#error">ERROR</A> and
<A HREF = "#warn">WARNING</A> messages LAMMPS prints out and the reason why. If the
@@ -120,6 +120,11 @@ the error message and staring at the source code and comments is also
not a bad idea! Note that sometimes the same message can be printed
from multiple places in the code.
</P>
+<P>Also note that error messages from <A HREF = "Section_start.html#2_3">user-contributed
+packages</A> are not listed here. Is such an
+error occurs and is not self-explanatory, you'll need to look in the
+source code or contact the author of the package.
+</P>
<H4><A NAME = "error"></A>Errors:
</H4>
<DL>
diff --git a/doc/Section_errors.txt b/doc/Section_errors.txt
index b5e0f35452..6422a655bc 100644
--- a/doc/Section_errors.txt
+++ b/doc/Section_errors.txt
@@ -107,7 +107,7 @@ request your input script and data files if necessary.
:line
-9.3 Error & warning Messages :h4,link(9_3)
+9.3 Error & warning messages :h4,link(9_3)
These are two alphabetic lists of the "ERROR"_#error and
"WARNING"_#warn messages LAMMPS prints out and the reason why. If the
@@ -117,6 +117,11 @@ the error message and staring at the source code and comments is also
not a bad idea! Note that sometimes the same message can be printed
from multiple places in the code.
+Also note that error messages from "user-contributed
+packages"_Section_start.html#2_3 are not listed here. Is such an
+error occurs and is not self-explanatory, you'll need to look in the
+source code or contact the author of the package.
+
Errors: :h4,link(error)
:dlb
diff --git a/doc/Section_modify.html b/doc/Section_modify.html
index 55b1fe14fd..49e70b95bd 100644
--- a/doc/Section_modify.html
+++ b/doc/Section_modify.html
@@ -18,13 +18,19 @@ extend with new functionality. In fact, about 75% if its source code
is files added in this fashion.
</P>
<P>In this section, changes and additions users can make are listed along
-with minimal instructions. The best way to add a new feature is to
-find a similar feature in LAMMPS and look at the corresponding source
-and header files to figure out what it does. You will need some
-knowledge of C++ to be able to understand the hi-level structure of
-LAMMPS and its class organization, but functions (class methods) that
-do actual computations are written in vanilla C-style code and operate
-on simple C-style data structures (vectors and arrays).
+with minimal instructions. If you add a new feature to LAMMPS and
+think it will be of interest to general users, we encourage you to
+submit it to the developers for inclusion in the released version of
+LAMMPS. Information about how to do this is provided
+<A HREF = "#package">below</A>.
+</P>
+<P>The best way to add a new feature is to find a similar feature in
+LAMMPS and look at the corresponding source and header files to figure
+out what it does. You will need some knowledge of C++ to be able to
+understand the hi-level structure of LAMMPS and its class
+organization, but functions (class methods) that do actual
+computations are written in vanilla C-style code and operate on simple
+C-style data structures (vectors and arrays).
</P>
<P>Most of the new features described in this section require you to
write a new C++ derived class (except for exceptions described below,
@@ -74,18 +80,25 @@ the executable and can be invoked with a pair_style command like the
example above. Arguments like 0.1 and 3.5 can be defined and
processed by your new class.
</P>
-<P>Here is a list of the new features that can be added in this way:
+<P>Here is a list of the new features that can be added in this way,
+along with information about how to submit your features for inclusion
+in the LAMMPS distribution.
</P>
<UL><LI><A HREF = "#atom">Atom styles</A>
<LI><A HREF = "#bond">Bond, angle, dihedral, improper potentials</A>
<LI><A HREF = "#compute">Compute styles</A>
<LI><A HREF = "#dump">Dump styles</A>
+<LI><A HREF = "#dump">Dump custom output optoins</A>
<LI><A HREF = "#fix">Fix styles</A> which include integrators, temperature and pressure control, force constraints, boundary conditions, diagnostic output, etc
<LI><A HREF = "#command">Input script commands</A>
<LI><A HREF = "#kspace">Kspace computations</A>
<LI><A HREF = "#min">Minimization solvers</A>
<LI><A HREF = "#pair">Pairwise potentials</A>
-<LI><A HREF = "#region">Region styles</A>
+<LI><A HREF = "#region">Region styles</A>
+<LI><A HREF = "#thermo">Thermodynamic output options</A>
+<LI><A HREF = "#variable">Variable options</A>
+</UL>
+<UL><LI><A HREF = "#package">Submitting new features to the developers to include in LAMMPS</A>
</UL>
<P>As illustrated by the pairwise example, these options are referred to
in the LAMMPS documentation as the "style" of a particular command.
@@ -513,6 +526,70 @@ then be accessed by variables) was discussed
</P>
<HR>
+<A NAME = "package"></A><H4>Submitting new features to the developers to include in LAMMPS
+</H4>
+<P>We encourage users to submit new features that they add to LAMMPS to
+<A HREF = "http://lammps.sandia.gov/authors.html">the developers</A>, especially if
+you think they will be useful to other users. If they are broadly
+useful we may add them as core files to LAMMPS or as part of a
+<A HREF = "Section_start.html#2_3">standard package</A>. Else we will add them as a
+user-contributed package. Examples of user packages are in src
+sub-directories that start with USER. You can see a list of the both
+standard and user packages by typing "make package" in the LAMMPS src
+directory.
+</P>
+<P>With user packages, all we are really providing (aside from the fame
+and fortune that accompanies having your name in the source code and
+on the <A HREF = "http://lammps.sandia.gov/authors.html">Authors page</A> of the
+<A HREF = "http://lammps.sandia.gov">LAMMPS WWW site</A>), is a means for you to distribute your work to
+the LAMMPS user community and a mechanism for others to easily try out
+your new feature. This may help you find bugs or make contact with
+new collaborators. Note that you're also implicitly agreeing to
+support your code which means answer questions, fix bugs, and maintain
+it if LAMMPS changes.
+</P>
+<P>The previous sections of this doc page describe how to add new
+features of various kinds to LAMMPS. Packages are simply collections
+of one or more new class files which are invoked as a new "style"
+within a LAMMPS input script. If designed correctly, these additions
+do not require changes to the main core of LAMMPS; they are simply
+add-on files. If you think your new feature does requires changes in
+other LAMMPS files, you'll need to <A HREF = "http://lammps.sandia.gov/authors.html">communicate with the
+developers</A>, since we may or may
+not want to make those changes.
+</P>
+<P>Here is what you need to do to submit a user package for our
+consideration. Following these steps will save time for both you and
+us. See existing package files for examples of these details.
+</P>
+<P>Your user package will be a directory with a name like USER-FOO. In
+addition to your new files, the directory should contain a README,
+Install.csh and style_user_foo.h file.
+</P>
+<P>The README text file should contain your name and contact information
+and a brief description of what your new package does. This is for
+users to look at.
+</P>
+<P>The Install.csh and style_user_foo.h files enable LAMMPS to include
+and exclude your package.
+</P>
+<P>Your new source files need to have the LAMMPS copyright, GPL notice,
+and your name at the top. They need to create a class that is inside
+the LAMMPS namespace. Other than that, your files can do whatever is
+necessary to implement the new features. They don't have to be
+written in the same style and syntax as other LAMMPS files, thought
+that would be nice.
+</P>
+<P>Finally, you also need to send us a documentation file for each new
+command or style you are adding to LAMMPS. These are text files which
+we will convert to HTML. Use one of the *.txt files in the doc dir as
+a starting point for the new file you create, since it should look
+similar to the doc files for existing commands and styles. Note that
+the more clear and self-exaplantory you make your documentation, the
+more likely it is that users will try out your new feature.
+</P>
+<HR>
+
<HR>
<A NAME = "Foo"></A>
diff --git a/doc/Section_modify.txt b/doc/Section_modify.txt
index 68eac5d0fc..fe3f361271 100644
--- a/doc/Section_modify.txt
+++ b/doc/Section_modify.txt
@@ -15,13 +15,19 @@ extend with new functionality. In fact, about 75% if its source code
is files added in this fashion.
In this section, changes and additions users can make are listed along
-with minimal instructions. The best way to add a new feature is to
-find a similar feature in LAMMPS and look at the corresponding source
-and header files to figure out what it does. You will need some
-knowledge of C++ to be able to understand the hi-level structure of
-LAMMPS and its class organization, but functions (class methods) that
-do actual computations are written in vanilla C-style code and operate
-on simple C-style data structures (vectors and arrays).
+with minimal instructions. If you add a new feature to LAMMPS and
+think it will be of interest to general users, we encourage you to
+submit it to the developers for inclusion in the released version of
+LAMMPS. Information about how to do this is provided
+"below"_#package.
+
+The best way to add a new feature is to find a similar feature in
+LAMMPS and look at the corresponding source and header files to figure
+out what it does. You will need some knowledge of C++ to be able to
+understand the hi-level structure of LAMMPS and its class
+organization, but functions (class methods) that do actual
+computations are written in vanilla C-style code and operate on simple
+C-style data structures (vectors and arrays).
Most of the new features described in this section require you to
write a new C++ derived class (except for exceptions described below,
@@ -71,12 +77,15 @@ the executable and can be invoked with a pair_style command like the
example above. Arguments like 0.1 and 3.5 can be defined and
processed by your new class.
-Here is a list of the new features that can be added in this way:
+Here is a list of the new features that can be added in this way,
+along with information about how to submit your features for inclusion
+in the LAMMPS distribution.
"Atom styles"_#atom
"Bond, angle, dihedral, improper potentials"_#bond
"Compute styles"_#compute
"Dump styles"_#dump
+"Dump custom output optoins"_#dump
"Fix styles"_#fix which include integrators, \
temperature and pressure control, force constraints, \
boundary conditions, diagnostic output, etc
@@ -84,7 +93,11 @@ Here is a list of the new features that can be added in this way:
"Kspace computations"_#kspace
"Minimization solvers"_#min
"Pairwise potentials"_#pair
-"Region styles"_#region :ul
+"Region styles"_#region
+"Thermodynamic output options"_#thermo
+"Variable options"_#variable :ul
+
+"Submitting new features to the developers to include in LAMMPS"_#package :ul
As illustrated by the pairwise example, these options are referred to
in the LAMMPS documentation as the "style" of a particular command.
@@ -488,6 +501,70 @@ Adding new "compute styles"_compute.html (whose calculated values can
then be accessed by variables) was discussed
"here"_Section_modify.html#compute on this page.
+:line
+
+Submitting new features to the developers to include in LAMMPS :link(package),h4
+
+We encourage users to submit new features that they add to LAMMPS to
+"the developers"_http://lammps.sandia.gov/authors.html, especially if
+you think they will be useful to other users. If they are broadly
+useful we may add them as core files to LAMMPS or as part of a
+"standard package"_Section_start.html#2_3. Else we will add them as a
+user-contributed package. Examples of user packages are in src
+sub-directories that start with USER. You can see a list of the both
+standard and user packages by typing "make package" in the LAMMPS src
+directory.
+
+With user packages, all we are really providing (aside from the fame
+and fortune that accompanies having your name in the source code and
+on the "Authors page"_http://lammps.sandia.gov/authors.html of the
+"LAMMPS WWW site"_lws), is a means for you to distribute your work to
+the LAMMPS user community and a mechanism for others to easily try out
+your new feature. This may help you find bugs or make contact with
+new collaborators. Note that you're also implicitly agreeing to
+support your code which means answer questions, fix bugs, and maintain
+it if LAMMPS changes.
+
+The previous sections of this doc page describe how to add new
+features of various kinds to LAMMPS. Packages are simply collections
+of one or more new class files which are invoked as a new "style"
+within a LAMMPS input script. If designed correctly, these additions
+do not require changes to the main core of LAMMPS; they are simply
+add-on files. If you think your new feature does requires changes in
+other LAMMPS files, you'll need to "communicate with the
+developers"_http://lammps.sandia.gov/authors.html, since we may or may
+not want to make those changes.
+
+Here is what you need to do to submit a user package for our
+consideration. Following these steps will save time for both you and
+us. See existing package files for examples of these details.
+
+Your user package will be a directory with a name like USER-FOO. In
+addition to your new files, the directory should contain a README,
+Install.csh and style_user_foo.h file.
+
+The README text file should contain your name and contact information
+and a brief description of what your new package does. This is for
+users to look at.
+
+The Install.csh and style_user_foo.h files enable LAMMPS to include
+and exclude your package.
+
+Your new source files need to have the LAMMPS copyright, GPL notice,
+and your name at the top. They need to create a class that is inside
+the LAMMPS namespace. Other than that, your files can do whatever is
+necessary to implement the new features. They don't have to be
+written in the same style and syntax as other LAMMPS files, thought
+that would be nice.
+
+Finally, you also need to send us a documentation file for each new
+command or style you are adding to LAMMPS. These are text files which
+we will convert to HTML. Use one of the *.txt files in the doc dir as
+a starting point for the new file you create, since it should look
+similar to the doc files for existing commands and styles. Note that
+the more clear and self-exaplantory you make your documentation, the
+more likely it is that users will try out your new feature.
+
:line
:line
diff --git a/doc/Section_start.html b/doc/Section_start.html
index ef237a45bd..726bd63894 100644
--- a/doc/Section_start.html
+++ b/doc/Section_start.html
@@ -269,11 +269,11 @@ instructions for tips. Good luck - we can't help you on this one.
<H4><A NAME = "2_3"></A>2.3 Making LAMMPS with optional packages
</H4>
<P>The source code for LAMMPS is structured as a large set of core files
-that are always used plus additional optional packages, which are
-groups of files that enable a specific set of features. For example,
-force fields for molecular systems or granular systems are in
-packages. You can see the list of both standard and user-contributed
-packages by typing "make package".
+which are always used, plus optional packages, which are groups of
+files that enable a specific set of features. For example, force
+fields for molecular systems or granular systems are in packages. You
+can see the list of both standard and user-contributed packages by
+typing "make package".
</P>
<P>The current list of standard packages is as follows:
</P>
@@ -294,8 +294,8 @@ packages by typing "make package".
</TD></TR></TABLE></DIV>
<P>There are also user-contributed packages which may be as simple as a
-single additional file (class) or many files grouped together which
-add a specific functionality to the code. The difference between a
+single additional file or many files grouped together which add a
+specific functionality to the code. The difference between a
<I>standard</I> package versus a <I>user</I> package is as follows.
</P>
<P>Standard packages are supported by the LAMMPS developers and are
@@ -305,49 +305,10 @@ necessary, and keep them compatible with future changes to LAMMPS.
</P>
<P>User packages don't necessarily meet these requirements. If you have
problems using a feature provided in a user package, you will likely
-need to contact the contributor directly to get help.
-</P>
-<P>We encourage users to submit new features to <A HREF = "http://lammps.sandia.gov/authors.html">the
-developers</A> that they add to
-LAMMPS, especially if you think they will be useful to other users.
-If they are broadly useful and meet the requirements listed above, we
-may add them as core files to LAMMPS or as part of a standard package.
-Else we will add them as a user package.
-</P>
-<P>With user packages, all we are really providing (aside from the fame
-and fortune that accompanies having your name in the source code and
-on the <A HREF = "http://lammps.sandia.gov/authors.html">Authors page</A> of the
-<A HREF = "http://lammps.sandia.gov">LAMMPS WWW site</A>), is a means for you to distribute your work to
-the LAMMPS user community and a mechanism for others to easily try out
-your new feature. This may help you find bugs or make contact with
-new collaborators.
-</P>
-<P><A HREF = "Section_modify.html">This section</A> of the documentation describes how
-to add new features of various kinds to LAMMPS. Packages are simply
-collections of these kinds of new class files which are typically
-invoked as a new "style" within a LAMMPS input script. If designed
-correctly, these additions do not require changes to the main core of
-LAMMPS; they are simply add-on files. If you think your new feature
-requires something else in LAMMPS to change, you'll need to
-<A HREF = "http://lammps.sandia.gov/authors.html">communicate with the
-developers</A>.
-</P>
-<P>Examples of user-contributed packages are in src sub-directories that
-start with USER. We impose only a few minor restrictions on the
-source files you submit. They need to have the LAMMPS copyright, GPL
-notice, and your name at the top. They need to create a class that is
-inside the LAMMPS namespace. You need to provide the Install.csh and
-style*.h files that enable the package to be installed/un-installed.
-See any of the other LAMMPS source or package files for examples.
-Following this pattern will save you and us time when you submit the
-files.
-</P>
-<P>Finally, you also need to include a README file with your package, so
-that other users can get a quick idea of what it does and know how to
-contact you. You also need to include a doc file in text format for
-each of the new styles you are adding, which we will convert to HTML.
-See the doc directory for numerous examples of these *.txt files; you
-should use one of them as a template for the feature you are adding.
+need to contact the contributor directly to get help. Information on
+how to submit additions you make to LAMMPS as a user-contributed
+package is given in <A HREF = "Section_modify.html#package">this section</A> of the
+documentation.
</P>
<HR>
diff --git a/doc/Section_start.txt b/doc/Section_start.txt
index 010f40568e..3c508789d4 100644
--- a/doc/Section_start.txt
+++ b/doc/Section_start.txt
@@ -264,11 +264,11 @@ instructions for tips. Good luck - we can't help you on this one.
2.3 Making LAMMPS with optional packages :h4,link(2_3)
The source code for LAMMPS is structured as a large set of core files
-that are always used plus additional optional packages, which are
-groups of files that enable a specific set of features. For example,
-force fields for molecular systems or granular systems are in
-packages. You can see the list of both standard and user-contributed
-packages by typing "make package".
+which are always used, plus optional packages, which are groups of
+files that enable a specific set of features. For example, force
+fields for molecular systems or granular systems are in packages. You
+can see the list of both standard and user-contributed packages by
+typing "make package".
The current list of standard packages is as follows:
@@ -287,8 +287,8 @@ poems : coupled rigid body motion
xtc : dump atom snapshots in XTC format :tb(s=:)
There are also user-contributed packages which may be as simple as a
-single additional file (class) or many files grouped together which
-add a specific functionality to the code. The difference between a
+single additional file or many files grouped together which add a
+specific functionality to the code. The difference between a
{standard} package versus a {user} package is as follows.
Standard packages are supported by the LAMMPS developers and are
@@ -298,49 +298,10 @@ necessary, and keep them compatible with future changes to LAMMPS.
User packages don't necessarily meet these requirements. If you have
problems using a feature provided in a user package, you will likely
-need to contact the contributor directly to get help.
-
-We encourage users to submit new features to "the
-developers"_http://lammps.sandia.gov/authors.html that they add to
-LAMMPS, especially if you think they will be useful to other users.
-If they are broadly useful and meet the requirements listed above, we
-may add them as core files to LAMMPS or as part of a standard package.
-Else we will add them as a user package.
-
-With user packages, all we are really providing (aside from the fame
-and fortune that accompanies having your name in the source code and
-on the "Authors page"_http://lammps.sandia.gov/authors.html of the
-"LAMMPS WWW site"_lws), is a means for you to distribute your work to
-the LAMMPS user community and a mechanism for others to easily try out
-your new feature. This may help you find bugs or make contact with
-new collaborators.
-
-"This section"_Section_modify.html of the documentation describes how
-to add new features of various kinds to LAMMPS. Packages are simply
-collections of these kinds of new class files which are typically
-invoked as a new "style" within a LAMMPS input script. If designed
-correctly, these additions do not require changes to the main core of
-LAMMPS; they are simply add-on files. If you think your new feature
-requires something else in LAMMPS to change, you'll need to
-"communicate with the
-developers"_http://lammps.sandia.gov/authors.html.
-
-Examples of user-contributed packages are in src sub-directories that
-start with USER. We impose only a few minor restrictions on the
-source files you submit. They need to have the LAMMPS copyright, GPL
-notice, and your name at the top. They need to create a class that is
-inside the LAMMPS namespace. You need to provide the Install.csh and
-style*.h files that enable the package to be installed/un-installed.
-See any of the other LAMMPS source or package files for examples.
-Following this pattern will save you and us time when you submit the
-files.
-
-Finally, you also need to include a README file with your package, so
-that other users can get a quick idea of what it does and know how to
-contact you. You also need to include a doc file in text format for
-each of the new styles you are adding, which we will convert to HTML.
-See the doc directory for numerous examples of these *.txt files; you
-should use one of them as a template for the feature you are adding.
+need to contact the contributor directly to get help. Information on
+how to submit additions you make to LAMMPS as a user-contributed
+package is given in "this section"_Section_modify.html#package of the
+documentation.
:line
diff --git a/doc/kspace_style.html b/doc/kspace_style.html
index 96d9020de1..63b2ae7b91 100644
--- a/doc/kspace_style.html
+++ b/doc/kspace_style.html
@@ -15,7 +15,7 @@
</P>
<PRE>kspace_style style value
</PRE>
-<UL><LI>style = <I>none</I> or <I>ewald</I> or <I>pppm</I> or others as referenced below
+<UL><LI>style = <I>none</I> or <I>ewald</I> or <I>pppm</I> or <I>pppm/tip4p</I> or <I>ewald/n</I>
<PRE> <I>none</I> value = none
<I>ewald</I> value = precision
@@ -23,6 +23,8 @@
<I>pppm</I> value = precision
precision = desired accuracy
<I>pppm/tip4p</I> value = precision
+ precision = desired accuracy
+ <I>ewald/n</I> value = precision
precision = desired accuracy
</PRE>
@@ -34,12 +36,12 @@ kspace_style none
</PRE>
<P><B>Description:</B>
</P>
-<P>Define a reciprocal (K-space) solver for LAMMPS to use each timestep
-to compute long-range Coulombic interactions. When such a solver is
-used in conjunction with an appropriate pair style, the cutoff for
-Coulombic interactions is effectively infinite; each charge in the
-system interacts with charges in an infinite array of periodic images
-of the simulation domain.
+<P>Define a K-space solver for LAMMPS to use each timestep to compute
+long-range Coulombic interactions or long-range 1/r^N interactions.
+When such a solver is used in conjunction with an appropriate pair
+style, the cutoff for Coulombic or other 1/r^N interactions is
+effectively infinite; each charge in the system interacts with charges
+in an infinite array of periodic images of the simulation domain.
</P>
<P>The <I>ewald</I> style performs a standard Ewald summation as described in
any solid-state physics text.
@@ -59,15 +61,21 @@ adds a charge at the massless 4th site in each TIP4P water molecule.
It should be used with <A HREF = "pair_style.html">pair styles</A> with a
<I>long/tip4p</I> in their style name.
</P>
-<P>There are also additional kspace styles submitted by users which are
-included in the LAMMPS distribution. The list of these with links to
-the individual styles are given in the kspace section of <A HREF = "Section_commands.html#3_5">this
-page</A>.
+<P>The <I>ewald/n</I> style augments <I>ewald</I> by adding long-range dispersion
+sum capabilities for 1/r^N potentials and is useful for simulation of
+interfaces <A HREF = "#Veld">(Veld)</A>. It also performs standard coulombic Ewald
+summations, but in a more efficient manner than the <I>ewald</I> style.
+The 1/r^N capability means that Lennard-Jones or Buckingham potentials
+can be used with <I>ewald/n</I> without a cutoff, i.e. they become full
+long-range potentials.
</P>
<P>When a kspace style is used, a pair style that includes the
-short-range correction to the pairwise Coulombic forces must also be
-selected. These styles are ones that have a <I>coul/long</I> in their
-style name.
+short-range correction to the pairwise Coulombic or other 1/r^N forces
+must also be selected. For Coulombic interactions, these styles are
+ones that have a <I>coul/long</I> in their style name. For Lennard-Jones
+or Buckingham interactions, see the <A HREF = "pair_lj_coul.html">pair_style
+lj/coul</A> or <A HREF = "pair_buck_coul.html">pair_style
+buck/coul</A> potentials.
</P>
<P>A precision value of 1.0e-4 means one part in 10000. This setting is
used in conjunction with the pairwise cutoff to determine the number
@@ -85,13 +93,18 @@ must be periodic and the z dimension must be non-periodic.
if LAMMPS was built with that package. See the <A HREF = "Section_start.html#2_3">Making
LAMMPS</A> section for more info.
</P>
+<P>The <I>ewald/n</I> style is part of the "user-ewaldn" package. It is only
+enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#2_3">Making
+LAMMPS</A> section for more info.
+</P>
<P>When using a long-range pairwise TIP4P potential, you must use kspace
style <I>pppm/tip4p</I> and vice versa.
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "kspace_modify.html">kspace_modify</A>, <A HREF = "pair_style.html">pair_style</A>
-lj/cut/coul/long, <A HREF = "pair_style.html">pair_style</A> lj/charmm/coul/long
+lj/cut/coul/long, <A HREF = "pair_style.html">pair_style</A> lj/charmm/coul/long,
+<A HREF = "pair_style">pair_style</A> lj/coul, <A HREF = "pair_style">pair_style</A> buck/coul
</P>
<P><B>Default:</B>
</P>
@@ -112,4 +125,8 @@ Adam Hilger, NY (1989).
<P><B>(Pollock)</B> Pollock and Glosli, Comp Phys Comm, 95, 93 (1996).
</P>
+<A NAME = "Veld"></A>
+
+<P><B>(Veld)</B> In 't Veld, Ismail, Grest, J Chem Phys, in press (2007).
+</P>
</HTML>
diff --git a/doc/shape.html b/doc/shape.html
index e02646058e..f3dee20e73 100644
--- a/doc/shape.html
+++ b/doc/shape.html
@@ -36,7 +36,7 @@ can also be set in the <A HREF = "read_data.html">read_data</A> data file. See
ellipsoid</A> require that shapes be set.
</P>
<P>Dipoles use the atom shape to compute a moment of inertia for
-rotational energy. Only the 1st componenet of the shape is used since
+rotational energy. Only the 1st component of the shape is used since
the particles are assumed to be spherical. The value of the first
component should be the same as the Lennard-Jones sigma value defined
in the dipole pair potential, i.e. in <A HREF = "pair_dipole.html">pair_style
diff --git a/doc/shape.txt b/doc/shape.txt
index 26437fbe7d..05bccb9597 100644
--- a/doc/shape.txt
+++ b/doc/shape.txt
@@ -33,7 +33,7 @@ Currently, only "atom_style dipole"_atom_style.html and "atom_style
ellipsoid"_atom_style.html require that shapes be set.
Dipoles use the atom shape to compute a moment of inertia for
-rotational energy. Only the 1st componenet of the shape is used since
+rotational energy. Only the 1st component of the shape is used since
the particles are assumed to be spherical. The value of the first
component should be the same as the Lennard-Jones sigma value defined
in the dipole pair potential, i.e. in "pair_style
--
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