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Commit 821ef0cf authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
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update documentation for dihedral style table/cut

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......@@ -1212,7 +1212,8 @@ package"_Section_start.html#start_3.
"nharmonic (o)"_dihedral_nharmonic.html,
"quadratic (o)"_dihedral_quadratic.html,
"spherical (o)"_dihedral_spherical.html,
"table (o)"_dihedral_table.html :tb(c=4,ea=c)
"table (o)"_dihedral_table.html
"table/cut"_dihedral_table_cut.html :tb(c=4,ea=c)
:line
......
......@@ -7,7 +7,6 @@
:line
dihedral_style table/cut command :h3
dihedral_style table/cut/omp command :h3
[Syntax:]
......@@ -61,9 +60,8 @@ filename
keyword :ul
The cutoff dihedral style uses a tabulated dihedral interaction with a
cutoff function
cutoff function (TODO: add image of formula here)
:c,image(Eqs/dihedral_table_cut.jpg)
The cutoff specifies an prefactor to the cutoff function. While this value
would ordinarily equal 1 there may be situations where the value should change.
......@@ -190,41 +188,17 @@ Note that one file can contain many sections, each with a tabulated
potential. LAMMPS reads the file section by section until it finds one
that matches the specified keyword.
:line
Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.
These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
USER-OMP and OPT packages, respectively. They are only enabled if
LAMMPS was built with those packages. See the "Making
LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
use the "suffix"_suffix.html command in your input script.
See "Section_accelerate"_Section_accelerate.html of the manual for
more instructions on how to use the accelerated styles effectively.
[Restrictions:]
This dihedral style can only be used if LAMMPS was built with the
USER-MISC package. See the "Making LAMMPS"_Section_start.html#2_3
USER-MISC package. See the "Making LAMMPS"_Section_start.html#start_3
section for more info on packages.
[Related commands:]
"dihedral_coeff"_dihedral_coeff.html
"dihedral_coeff"_dihedral_coeff.html, "dihedral_style table"_dihedral_table.html
[Default:] none
:line
:link(dihedralcut-Salerno)
[(Salerno)] Salerno, Bernstein, J Chem Theory Comput, --, ---- (2018).
......@@ -19,6 +19,7 @@ Dihedral Styles :h1
dihedral_quadratic
dihedral_spherical
dihedral_table
dihedral_table_cut
dihedral_zero
dihedral_charmm
dihedral_class2
......
......@@ -582,6 +582,7 @@ dihedral_opls.html
dihedral_quadratic.html
dihedral_spherical.html
dihedral_table.html
dihedral_table_cut.html
dihedral_zero.html
lammps_commands_improper.html
......
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