jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15092 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2016-05-31 16:53:09 +00:00
parent 9182047905
commit 08c8d65fea
7 changed files with 10 additions and 10 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
doc/html/Manual.html
View File

@ -135,7 +135,7 @@
<H1></H1><div class="section" id="lammps-documentation">
<h1>LAMMPS Documentation</h1>
<div class="section" id="may-2016-version">
<h2>14 May 2016 version</h2>
<h2>31 May 2016 version</h2>
</div>
<div class="section" id="version-info">
<h2>Version info:</h2>

2
doc/html/Section_packages.html
View File

@ -493,7 +493,7 @@ name links to a sub-section below with more details.</p>
<td>python</td>
<td>lib/python</td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="#reax"><span class="std std-ref">REAX</span></a></td>
<tr class="row-even"><td><a class="reference internal" href="Section_tools.html#reax"><span class="std std-ref">REAX</span></a></td>
<td>ReaxFF potential</td>
<td>Aidan Thompson (Sandia)</td>
<td><a class="reference internal" href="pair_reax.html"><span class="doc">pair_style reax</span></a></td>

2
doc/html/_sources/Manual.txt
View File

@ -5,7 +5,7 @@
LAMMPS Documentation
====================
14 May 2016 version
31 May 2016 version
-------------------
Version info:

4
doc/html/fix_langevin.html
View File

@ -175,7 +175,7 @@
</div>
<div class="section" id="description">
<h2>Description</h2>
<p>Apply a Langevin thermostat as described in <a class="reference internal" href="#schneider"><span class="std std-ref">(Schneider)</span></a>
<p>Apply a Langevin thermostat as described in <a class="reference internal" href="fix_langevin_eff.html#schneider"><span class="std std-ref">(Schneider)</span></a>
to a group of atoms which models an interaction with a background
implicit solvent. Used with <a class="reference internal" href="fix_nve.html"><span class="doc">fix nve</span></a>, this command
performs Brownian dynamics (BD), since the total force on each atom
@ -203,7 +203,7 @@ dt damp), where Kb is the Boltzmann constant, T is the desired
temperature, m is the mass of the particle, dt is the timestep size,
and damp is the damping factor. Random numbers are used to randomize
the direction and magnitude of this force as described in
<a class="reference internal" href="#dunweg"><span class="std std-ref">(Dunweg)</span></a>, where a uniform random number is used (instead of
<a class="reference internal" href="fix_langevin_eff.html#dunweg"><span class="std std-ref">(Dunweg)</span></a>, where a uniform random number is used (instead of
a Gaussian random number) for speed.</p>
<p>Note that unless you use the <em>omega</em> or <em>angmom</em> keywords, the
thermostat effect of this fix is applied to only the translational

4
doc/html/pair_thole.html
View File

@ -189,8 +189,8 @@ short distances by a function</p>
\frac{s_{ij} r_{ij} }{2} \right)
\exp \left( - s_{ij} r_{ij} \right) \end{equation}\]</div>
<p>This function results from an adaptation to point charges
<a class="reference internal" href="#noskov"><span class="std std-ref">(Noskov)</span></a> of the dipole screening scheme originally proposed
by <a class="reference internal" href="#thole"><span class="std std-ref">Thole</span></a>. The scaling coefficient <span class="math">\(s_{ij}\)</span> is determined
<a class="reference internal" href="tutorial_drude.html#noskov"><span class="std std-ref">(Noskov)</span></a> of the dipole screening scheme originally proposed
by <a class="reference internal" href="tutorial_drude.html#thole"><span class="std std-ref">Thole</span></a>. The scaling coefficient <span class="math">\(s_{ij}\)</span> is determined
by the polarizability of the atoms, <span class="math">\(\alpha_i\)</span>, and by a Thole
damping parameter <span class="math">\(a\)</span>. This Thole damping parameter usually takes
a value of 2.6, but in certain force fields the value can depend upon

2
doc/html/searchindex.js
View File

File diff suppressed because one or more lines are too long

4
doc/src/Manual.txt
View File

@ -1,7 +1,7 @@
<!-- HTML_ONLY -->
<HEAD>
<TITLE>LAMMPS Users Manual</TITLE>
<META NAME="docnumber" CONTENT="14 May 2016 version">
<META NAME="docnumber" CONTENT="31 May 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
14 May 2016 version :c,h4
31 May 2016 version :c,h4
Version info: :h4