ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Stan bug fixes for fix reaxc/bonds/kk

Browse Source
This commit is contained in:
Steve Plimpton
2016-11-09 15:47:50 -07:00
parent bfea3dce7d
commit 9806da69f3
10 changed files with 15 additions and 197 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
doc/src/Manual.txt
View File

@ -1,7 +1,7 @@
<!-- HTML_ONLY -->
<HEAD>
<TITLE>LAMMPS Users Manual</TITLE>
<META NAME="docnumber" CONTENT="5 Nov 2016 version">
<META NAME="docnumber" CONTENT="9 Nov 2016 version">
<META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
<META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License.">
</HEAD>
@ -21,7 +21,7 @@
<H1></H1>
LAMMPS Documentation :c,h3
5 Nov 2016 version :c,h4
9 Nov 2016 version :c,h4
Version info: :h4

2
doc/src/Section_commands.txt
View File

@ -886,6 +886,8 @@ KOKKOS, o = USER-OMP, t = OPT.
"body"_pair_body.html,
"bop"_pair_bop.html,
"born (go)"_pair_born.html,
"born/coul/dsf"_pair_born.html,
"born/coul/dsf/cs"_pair_born.html,
"born/coul/long (go)"_pair_born.html,
"born/coul/long/cs"_pair_born.html,
"born/coul/msm (o)"_pair_born.html,

10
doc/src/pair_born.txt
View File

@ -72,7 +72,6 @@ pair_style born/coul/dsf 0.1 10.0 12.0
pair_coeff * * 0.0 1.00 0.00 0.00 0.00
pair_coeff 1 1 480.0 0.25 0.00 1.05 0.50 :pre
[Description:]
The {born} style computes the Born-Mayer-Huggins or Tosi/Fumi
@ -101,9 +100,8 @@ term.
The {born/coul/wolf} style adds a Coulombic term as described for the
Wolf potential in the "coul/wolf"_pair_coul.html pair style.
The {born/coul/dsf} style computes the Coulomb contribution
with the damped shifted force model as in the
"coul/dsf"_pair_coul.html style.
The {born/coul/dsf} style computes the Coulomb contribution with the
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
@ -134,8 +132,8 @@ cutoff specified in the pair_style command is used.
For {born/coul/long}, {born/coul/wolf} and {born/coul/dsf} no
Coulombic cutoff can be specified for an individual I,J type pair.
All type pairs use the same global Coulombic cutoff specified in
the pair_style command.
All type pairs use the same global Coulombic cutoff specified in the
pair_style command.
:line