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Merge pull request #706 from lammps/doc-cs 

update to doc pages for new coreshell pair styles
This commit is contained in:
Steve Plimpton 2017-10-21 16:12:23 -06:00 committed by GitHub
parent ce78f6943d 2137be3219
commit a7ad12491f
4 changed files with 15 additions and 5 deletions
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2
doc/src/Section_commands.txt
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@ -920,6 +920,7 @@ KOKKOS, o = USER-OMP, t = OPT.
"born/coul/long/cs"_pair_born.html,
"born/coul/msm (o)"_pair_born.html,
"born/coul/wolf (go)"_pair_born.html,
"born/coul/wolf/cs"_pair_born.html,
"brownian (o)"_pair_brownian.html,
"brownian/poly (o)"_pair_brownian.html,
"buck (giko)"_pair_buck.html,
@ -939,6 +940,7 @@ KOKKOS, o = USER-OMP, t = OPT.
"coul/msm"_pair_coul.html,
"coul/streitz"_pair_coul.html,
"coul/wolf (ko)"_pair_coul.html,
"coul/wolf/cs"_pair_coul.html,
"dpd (gio)"_pair_dpd.html,
"dpd/tstat (go)"_pair_dpd.html,
"dsmc"_pair_dsmc.html,

2
doc/src/fix_deform.txt
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@ -92,7 +92,7 @@ This fix can be used to perform non-equilibrium MD (NEMD) simulations
of a continuously strained system. See the "fix
nvt/sllod"_fix_nvt_sllod.html and "compute
temp/deform"_compute_temp_deform.html commands for more details. Note
that simulation of a continuously extended (extensional flow) system
that simulation of a continuously extended system (extensional flow)
can be modeled using the "USER-UEF
package"_Section_packages.html#USER-UEF and its "fix
commands"_fix_nh_uef.html.

9
doc/src/pair_born.txt
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@ -17,6 +17,7 @@ pair_style born/coul/long/omp command :h3
pair_style born/coul/msm command :h3
pair_style born/coul/msm/omp command :h3
pair_style born/coul/wolf command :h3
pair_style born/coul/wolf/cs command :h3
pair_style born/coul/wolf/gpu command :h3
pair_style born/coul/wolf/omp command :h3
pair_style born/coul/dsf command :h3
@ -36,7 +37,7 @@ args = list of arguments for a particular style :ul
{born/coul/msm} args = cutoff (cutoff2)
cutoff = global cutoff for non-Coulombic (and Coulombic if only 1 arg) (distance units)
cutoff2 = global cutoff for Coulombic (optional) (distance units)
{born/coul/wolf} args = alpha cutoff (cutoff2)
{born/coul/wolf} or {born/coul/wolf/cs} args = alpha cutoff (cutoff2)
alpha = damping parameter (inverse distance units)
cutoff = global cutoff for non-Coulombic (and Coulombic if only 1 arg) (distance units)
cutoff2 = global cutoff for Coulombic (optional) (distance units)
@ -65,6 +66,7 @@ pair_coeff 1 1 6.08 0.317 2.340 24.18 11.51 :pre
pair_style born/coul/wolf 0.25 10.0
pair_style born/coul/wolf 0.25 10.0 9.0
pair_style born/coul/wolf/cs 0.25 10.0 9.0
pair_coeff * * 6.08 0.317 2.340 24.18 11.51
pair_coeff 1 1 6.08 0.317 2.340 24.18 11.51 :pre
@ -106,8 +108,9 @@ damped shifted force model as in the "coul/dsf"_pair_coul.html style.
Style {born/coul/long/cs} is identical to {born/coul/long} except that
a term is added for the "core/shell model"_Section_howto.html#howto_25
to allow charges on core and shell particles to be separated by r =
0.0. The same correction is introduced for {born/coul/dsf/cs} style
which is identical to {born/coul/dsf}.
0.0. The same correction is introduced for the {born/coul/dsf/cs}
style which is identical to {born/coul/dsf}. And likewise for
{born/coul/wolf/cs} style which is identical to {born/coul/wolf}.
Note that these potentials are related to the "Buckingham
potential"_pair_buck.html.

7
doc/src/pair_coul.txt
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@ -29,6 +29,7 @@ pair_style coul/streitz command :h3
pair_style coul/wolf command :h3
pair_style coul/wolf/kk command :h3
pair_style coul/wolf/omp command :h3
pair_style coul/wolf/cs command :h3
pair_style tip4p/cut command :h3
pair_style tip4p/long command :h3
pair_style tip4p/cut/omp command :h3
@ -43,6 +44,7 @@ pair_style coul/long cutoff
pair_style coul/long/cs cutoff
pair_style coul/long/gpu cutoff
pair_style coul/wolf alpha cutoff
pair_style coul/wolf/cs alpha cutoff
pair_style coul/streitz cutoff keyword alpha
pair_style tip4p/cut otype htype btype atype qdist cutoff
pair_style tip4p/long otype htype btype atype qdist cutoff :pre
@ -72,6 +74,7 @@ pair_style coul/msm 10.0
pair_coeff * * :pre
pair_style coul/wolf 0.2 9.0
pair_style coul/wolf/cs 0.2 9.0
pair_coeff * * :pre
pair_style coul/streitz 12.0 ewald
@ -202,7 +205,9 @@ interactions outside that distance are computed in reciprocal space.
Style {coul/long/cs} is identical to {coul/long} except that a term is
added for the "core/shell model"_Section_howto.html#howto_25 to allow
charges on core and shell particles to be separated by r = 0.0.
charges on core and shell particles to be separated by r = 0.0. The
same correction is introduced for the {coul/wolf/cs} style which is
identical to {coul/wolf}.
Styles {tip4p/cut} and {tip4p/long} implement the coulomb part of
the TIP4P water model of "(Jorgensen)"_#Jorgensen3, which introduces