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<title>LAMMPS Documentation — LAMMPS 9 Dec 2015 documentation</title>
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<H1></H1><div class="section" id="lammps-documentation">
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<h1>LAMMPS Documentation<a class="headerlink" href="#lammps-documentation" title="Permalink to this headline">¶</a></h1>
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<div class="section" id="dec-2015-version">
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<h2>9 Dec 2015 version<a class="headerlink" href="#dec-2015-version" title="Permalink to this headline">¶</a></h2>
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<h2>11 Dec 2015 version<a class="headerlink" href="#dec-2015-version" title="Permalink to this headline">¶</a></h2>
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</div>
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<div class="section" id="version-info">
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<h2>Version info:<a class="headerlink" href="#version-info" title="Permalink to this headline">¶</a></h2>
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<!-- HTML_ONLY -->
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<HEAD>
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<TITLE>LAMMPS Users Manual</TITLE>
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<META NAME="docnumber" CONTENT="9 Dec 2015 version">
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<META NAME="docnumber" CONTENT="11 Dec 2015 version">
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<META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
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<META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License.">
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<H1></H1>
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LAMMPS Documentation :c,h3
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9 Dec 2015 version :c,h4
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11 Dec 2015 version :c,h4
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Version info: :h4
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<title>5. Accelerating LAMMPS performance — LAMMPS 9 Dec 2015 documentation</title>
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<title>3. Commands — LAMMPS 9 Dec 2015 documentation</title>
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<title>3. Commands — LAMMPS 11 Dec 2015 documentation</title>
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<title>13. Future and history — LAMMPS 11 Dec 2015 documentation</title>
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<title>6. How-to discussions — LAMMPS 9 Dec 2015 documentation</title>
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<title>6. How-to discussions — LAMMPS 11 Dec 2015 documentation</title>
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<title>1. Introduction — LAMMPS 9 Dec 2015 documentation</title>
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<title>10. Modifying & extending LAMMPS — LAMMPS 9 Dec 2015 documentation</title>
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<title>10. Modifying & extending LAMMPS — LAMMPS 11 Dec 2015 documentation</title>
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<title>11. Python interface to LAMMPS — LAMMPS 9 Dec 2015 documentation</title>
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||||
<title>5.GPU package — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>5.GPU package — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -367,7 +367,7 @@ storage by a single MPI process.</li>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>5.USER-INTEL package — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>5.USER-INTEL package — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -428,7 +428,7 @@ supported.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>5.KOKKOS package — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>5.KOKKOS package — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -586,7 +586,7 @@ change in the future.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>5.USER-OMP package — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>5.USER-OMP package — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -303,7 +303,7 @@ MPI tasks to a (multi-core) socket, should solve this issue.</li>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>5.OPT package — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>5.OPT package — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -205,7 +205,7 @@ of a run. On most machines for reasonable problem sizes, it will be a
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>angle_style charmm command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>angle_style charmm command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -230,7 +230,7 @@ Fischer, Gao, Guo, Ha, et al, J Phys Chem, 102, 3586 (1998).</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>angle_style class2 command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>angle_style class2 command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -257,7 +257,7 @@ for more info on packages.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>angle_coeff command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>angle_coeff command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -245,7 +245,7 @@ set, either in the input script or in a data file.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>angle_style cosine command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>angle_style cosine command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -215,7 +215,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>angle_style cosine/delta command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>angle_style cosine/delta command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -219,7 +219,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>angle_style cosine/periodic command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>angle_style cosine/periodic command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -229,7 +229,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>angle_style cosine/shift command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>angle_style cosine/shift command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -220,7 +220,7 @@ section for more info on packages.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>angle_style cosine/shift/exp command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>angle_style cosine/shift/exp command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -231,7 +231,7 @@ section for more info on packages.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>angle_style cosine/squared command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>angle_style cosine/squared command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -219,7 +219,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>angle_style dipole command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>angle_style dipole command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -258,7 +258,7 @@ Clarendon Press, Oxford, 1987.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>angle_style fourier command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>angle_style fourier command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -216,7 +216,7 @@ section for more info on packages.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>angle_style fourier/simple command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>angle_style fourier/simple command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -215,7 +215,7 @@ section for more info on packages.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>angle_style harmonic command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>angle_style harmonic command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -224,7 +224,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>angle_style hybrid command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>angle_style hybrid command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -240,7 +240,7 @@ file, you need to re-specify angle_coeff commands.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>angle_style none command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>angle_style none command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -184,7 +184,7 @@ if triplets of angle atoms were listed in the data file read by the
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>angle_style quartic command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>angle_style quartic command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -222,7 +222,7 @@ section for more info on packages.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>angle_style sdk command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>angle_style sdk command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -208,7 +208,7 @@ USER-CG-CMM package. See the <a class="reference internal" href="Section_start.
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>angle_style command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>angle_style command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -243,7 +243,7 @@ package.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>angle_style table command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>angle_style table command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -293,7 +293,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>atom_modify command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>atom_modify command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -309,7 +309,7 @@ cutoff will be used to set the bin size.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>atom_style command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>atom_style command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -448,7 +448,7 @@ only enabled if LAMMPS was built with that package. See the <a class="reference
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>balance command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>balance command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -508,7 +508,7 @@ appear in <em>dimstr</em> for the <em>shift</em> style.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>Body particles — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>Body particles — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -303,7 +303,7 @@ current COM and orientiation of the body particle.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>bond_style class2 command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>bond_style class2 command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -222,7 +222,7 @@ for more info on packages.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>bond_coeff command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>bond_coeff command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -242,7 +242,7 @@ either in the input script or in a data file.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>bond_style fene command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>bond_style fene command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -230,7 +230,7 @@ style. LAMMPS will issue a warning it that’s not the case.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>bond_style fene/expand command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>bond_style fene/expand command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -231,7 +231,7 @@ style. LAMMPS will issue a warning it that’s not the case.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>bond_style harmonic command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>bond_style harmonic command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -220,7 +220,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>bond_style harmonic/shift command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>bond_style harmonic/shift command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -222,7 +222,7 @@ section for more info on packages.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>bond_style harmonic/shift/cut command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>bond_style harmonic/shift/cut command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -223,7 +223,7 @@ section for more info on packages.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>bond_style hybrid command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>bond_style hybrid command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -223,7 +223,7 @@ file, you need to re-specify bond_coeff commands.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>bond_style morse command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>bond_style morse command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -218,7 +218,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>bond_style none command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>bond_style none command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -184,7 +184,7 @@ pairs of bonded atoms were listed in the data file read by the
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>bond_style nonlinear command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>bond_style nonlinear command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -220,7 +220,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>bond_style quartic command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>bond_style quartic command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -252,7 +252,7 @@ dihedral, etc) cannot be used with <em>quartic</em> bonds.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>bond_style command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>bond_style command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -251,7 +251,7 @@ package.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>bond_style table command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>bond_style table command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -290,7 +290,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>boundary command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>boundary command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -248,7 +248,7 @@ of lost atoms.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>box command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>box command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -212,7 +212,7 @@ error.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>change_box command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>change_box command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -466,7 +466,7 @@ change_box command is issued, so long as an <a class="reference internal" href="
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>clear command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>clear command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -192,7 +192,7 @@ input script variables (<a class="reference internal" href="variable.html"><em>v
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>comm_modify command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>comm_modify command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -307,7 +307,7 @@ cutoff = pairwise force cutoff + neighbor skin.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>comm_style command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>comm_style command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -217,7 +217,7 @@ commands. The decomposition can be changed via the
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -395,7 +395,7 @@ section of <a class="reference internal" href="Section_commands.html#cmd-5"><spa
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute ackland/atom command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute ackland/atom command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -218,7 +218,7 @@ integers defined above.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute angle/local command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute angle/local command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -226,7 +226,7 @@ be in energy <a class="reference internal" href="units.html"><em>units</em></a>.
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute angmom/chunk command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute angmom/chunk command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -236,7 +236,7 @@ mass-velocity-distance <a class="reference internal" href="units.html"><em>units
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute basal/atom command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute basal/atom command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -216,7 +216,7 @@ well-defined basal plane.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute body/local command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute body/local command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -238,7 +238,7 @@ options.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute bond/local command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute bond/local command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -234,7 +234,7 @@ output for <em>eng</em> will be in energy <a class="reference internal" href="un
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute centro/atom command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute centro/atom command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -263,7 +263,7 @@ of 12.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute chunk/atom command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute chunk/atom command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -149,17 +149,17 @@ style = <em>bin/1d</em> or <em>bin/2d</em> or <em>bin/3d</em> or <em>bin/sphere<
|
|||
dim = <em>x</em> or <em>y</em> or <em>z</em>
|
||||
origin = <em>lower</em> or <em>center</em> or <em>upper</em> or coordinate value (distance units)
|
||||
delta = thickness of spatial bins in dim (distance units)
|
||||
<em>bin/sphere</em> args = xorig yorig zorig rmin rmax nrbin
|
||||
<em>bin/sphere</em> args = xorig yorig zorig rmin rmax nsbin
|
||||
xorig,yorig,zorig = center point of sphere
|
||||
srmin,srmax = bin from sphere radius rmin to rmax
|
||||
nsbin = # of bins between rmin and rmax
|
||||
<em>bin/cylinder</em> args = dim origin delta c1 c2 rmin rmax nrbin
|
||||
nsbin = # of spherical shell bins between rmin and rmax
|
||||
<em>bin/cylinder</em> args = dim origin delta c1 c2 rmin rmax ncbin
|
||||
dim = <em>x</em> or <em>y</em> or <em>z</em> = axis of cylinder axis
|
||||
origin = <em>lower</em> or <em>center</em> or <em>upper</em> or coordinate value (distance units)
|
||||
delta = thickness of spatial bins in dim (distance units)
|
||||
c1,c2 = coords of cylinder axis in other 2 dimensions (distance units)
|
||||
crmin,crmax = bin from cylinder radius rmin to rmax (distance units)
|
||||
ncbin = # of bins between rmin and rmax
|
||||
ncbin = # of concentric circle bins between rmin and rmax
|
||||
<em>type</em> args = none
|
||||
<em>molecule</em> args = none
|
||||
<em>compute/fix/variable</em> = c_ID, c_ID[I], f_ID, f_ID[I], v_name with no args
|
||||
|
@ -288,9 +288,9 @@ box and an <em>origin</em> of 1.0 means to start layers at the upper “b
|
|||
cross “c” face of the box. A <em>delta</em> value of 0.1 in <em>reduced</em> units
|
||||
means there will be 10 layers from 0.0 to 1.0, regardless of the
|
||||
current size or shape of the simulation box.</p>
|
||||
<p>The <em>bin/sphere</em> style defines a set of spherical shells around the
|
||||
origin (<em>xorig</em>,*yorig*,*zorig*), using <em>nsbin</em> shells with radii
|
||||
equally spaced between <em>srmin</em> and <em>srmax</em>, for effectively a 1d
|
||||
<p>The <em>bin/sphere</em> style defines a set of spherical shell bins around
|
||||
the origin (<em>xorig</em>,*yorig*,*zorig*), using <em>nsbin</em> bins with radii
|
||||
equally spaced between <em>srmin</em> and <em>srmax</em>. This is effectively a 1d
|
||||
vector of bins. For example, if <em>srmin</em> = 1.0 and <em>srmax</em> = 10.0 and
|
||||
<em>nsbin</em> = 9, then the first bin spans 1.0 < r < 2.0, and the last bin
|
||||
spans 9.0 < r 10.0. The geometry of the bins is the same whether the
|
||||
|
@ -298,29 +298,30 @@ simulation box is orthogonal or triclinic; i.e. the spherical shells
|
|||
are not tilted or scaled differently in different dimensions to
|
||||
transform them into ellipsoidal shells.</p>
|
||||
<p>The <em>bin/cylinder</em> style defines bins for a cylinder oriented along
|
||||
the axis <em>dim</em> with the axis position in the other two radial
|
||||
the axis <em>dim</em> with the axis coordinates in the other two radial
|
||||
dimensions at (<em>c1</em>,*c2*). For dim = x, c1/c2 = y/z; for dim = y,
|
||||
c1/c2 = x/z; for dim = z, c1/c2 = x/y. These can be thought of as a
|
||||
2d array of bins, each of which is a pie-shaped wedge (radial
|
||||
dimensions) of finite height (along the cylinder axis). The bin size
|
||||
c1/c2 = x/z; for dim = z, c1/c2 = x/y. This is effectively a 2d array
|
||||
of bins. The first dimension is along the cylinder axis, the second
|
||||
dimension is radially outward from the cylinder axis. The bin size
|
||||
and positions along the cylinder axis are specified by the <em>origin</em>
|
||||
and <em>delta</em> values, the same as for the <em>bin/1d</em>, <em>bin/2d</em>, and
|
||||
<em>bin/3d</em> styles. There are <em>ncbin</em> concentric circles in the radial
|
||||
direction from the cylinder axis with radii equally spaced between
|
||||
<em>crmin</em> and <em>crmax</em>. For example, if <em>crmin</em> = 1.0 and <em>crmax</em> = 10.0
|
||||
and <em>ncbin</em> = 9, then the first bin spans 1.0 < r < 2.0, and the last
|
||||
bin spans 9.0 < r 10.0. The geometry of the bins in the radial
|
||||
dimensions is the same whether the simulation box is orthogonal or
|
||||
triclinic; i.e. the circles are not tilted or scaled differently in
|
||||
the two different dimensions to transform them into ellipses.</p>
|
||||
<em>bin/3d</em> styles. There are <em>ncbin</em> concentric circle bins in the
|
||||
radial direction from the cylinder axis with radii equally spaced
|
||||
between <em>crmin</em> and <em>crmax</em>. For example, if <em>crmin</em> = 1.0 and
|
||||
<em>crmax</em> = 10.0 and <em>ncbin</em> = 9, then the first bin spans 1.0 < r <
|
||||
2.0, and the last bin spans 9.0 < r 10.0. The geometry of the bins in
|
||||
the radial dimensions is the same whether the simulation box is
|
||||
orthogonal or triclinic; i.e. the concetric circles are not tilted or
|
||||
scaled differently in the two different dimensions to transform them
|
||||
into ellipses.</p>
|
||||
<p>The created bins (and hence the chunk IDs) are numbered consecutively
|
||||
from 1 to the number of bins = <em>Nchunk</em>. For 2d and 3d bins, the
|
||||
from 1 to the number of bins = <em>Nchunk</em>. For <em>bin2d</em> and <em>bin3d</em>, the
|
||||
numbering varies most rapidly in the first dimension (which could be
|
||||
x, y, or z), next rapidly in the 2nd dimension, and most slowly in the
|
||||
3rd dimension. For spherical 1d bins, the innermost shell is chunk 1
|
||||
and the outermost shell is chunk Nchunk = <em>nsbin</em>. For cylindrical
|
||||
2d bins, the numbering varies most rapidly in the dimension along the
|
||||
cylinder axis and most slowly in the radial direction.</p>
|
||||
3rd dimension. For <em>bin/sphere</em>, the bin with smallest radii is chunk
|
||||
1 and the bni with largest radii is chunk Nchunk = <em>ncbin</em>. For
|
||||
<em>bin/cylinder</em>, the numbering varies most rapidly in the dimension
|
||||
along the cylinder axis and most slowly in the radial direction.</p>
|
||||
<p>Each time this compute is invoked, each atom is mapped to a bin based
|
||||
on its current position. Note that between reneighboring timesteps,
|
||||
atoms can move outside the current simulation box. If the box is
|
||||
|
@ -718,7 +719,7 @@ the restarted simulation begins.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -27,17 +27,17 @@ style = {bin/1d} or {bin/2d} or {bin/3d} or {bin/sphere} or {type} or {molecule}
|
|||
dim = {x} or {y} or {z}
|
||||
origin = {lower} or {center} or {upper} or coordinate value (distance units)
|
||||
delta = thickness of spatial bins in dim (distance units)
|
||||
{bin/sphere} args = xorig yorig zorig rmin rmax nrbin
|
||||
{bin/sphere} args = xorig yorig zorig rmin rmax nsbin
|
||||
xorig,yorig,zorig = center point of sphere
|
||||
srmin,srmax = bin from sphere radius rmin to rmax
|
||||
nsbin = # of bins between rmin and rmax
|
||||
{bin/cylinder} args = dim origin delta c1 c2 rmin rmax nrbin
|
||||
nsbin = # of spherical shell bins between rmin and rmax
|
||||
{bin/cylinder} args = dim origin delta c1 c2 rmin rmax ncbin
|
||||
dim = {x} or {y} or {z} = axis of cylinder axis
|
||||
origin = {lower} or {center} or {upper} or coordinate value (distance units)
|
||||
delta = thickness of spatial bins in dim (distance units)
|
||||
c1,c2 = coords of cylinder axis in other 2 dimensions (distance units)
|
||||
crmin,crmax = bin from cylinder radius rmin to rmax (distance units)
|
||||
ncbin = # of bins between rmin and rmax
|
||||
ncbin = # of concentric circle bins between rmin and rmax
|
||||
{type} args = none
|
||||
{molecule} args = none
|
||||
{compute/fix/variable} = c_ID, c_ID\[I\], f_ID, f_ID\[I\], v_name with no args
|
||||
|
@ -183,9 +183,9 @@ cross "c" face of the box. A {delta} value of 0.1 in {reduced} units
|
|||
means there will be 10 layers from 0.0 to 1.0, regardless of the
|
||||
current size or shape of the simulation box.
|
||||
|
||||
The {bin/sphere} style defines a set of spherical shells around the
|
||||
origin ({xorig},{yorig},{zorig}), using {nsbin} shells with radii
|
||||
equally spaced between {srmin} and {srmax}, for effectively a 1d
|
||||
The {bin/sphere} style defines a set of spherical shell bins around
|
||||
the origin ({xorig},{yorig},{zorig}), using {nsbin} bins with radii
|
||||
equally spaced between {srmin} and {srmax}. This is effectively a 1d
|
||||
vector of bins. For example, if {srmin} = 1.0 and {srmax} = 10.0 and
|
||||
{nsbin} = 9, then the first bin spans 1.0 < r < 2.0, and the last bin
|
||||
spans 9.0 < r 10.0. The geometry of the bins is the same whether the
|
||||
|
@ -194,30 +194,31 @@ are not tilted or scaled differently in different dimensions to
|
|||
transform them into ellipsoidal shells.
|
||||
|
||||
The {bin/cylinder} style defines bins for a cylinder oriented along
|
||||
the axis {dim} with the axis position in the other two radial
|
||||
the axis {dim} with the axis coordinates in the other two radial
|
||||
dimensions at ({c1},{c2}). For dim = x, c1/c2 = y/z; for dim = y,
|
||||
c1/c2 = x/z; for dim = z, c1/c2 = x/y. These can be thought of as a
|
||||
2d array of bins, each of which is a pie-shaped wedge (radial
|
||||
dimensions) of finite height (along the cylinder axis). The bin size
|
||||
c1/c2 = x/z; for dim = z, c1/c2 = x/y. This is effectively a 2d array
|
||||
of bins. The first dimension is along the cylinder axis, the second
|
||||
dimension is radially outward from the cylinder axis. The bin size
|
||||
and positions along the cylinder axis are specified by the {origin}
|
||||
and {delta} values, the same as for the {bin/1d}, {bin/2d}, and
|
||||
{bin/3d} styles. There are {ncbin} concentric circles in the radial
|
||||
direction from the cylinder axis with radii equally spaced between
|
||||
{crmin} and {crmax}. For example, if {crmin} = 1.0 and {crmax} = 10.0
|
||||
and {ncbin} = 9, then the first bin spans 1.0 < r < 2.0, and the last
|
||||
bin spans 9.0 < r 10.0. The geometry of the bins in the radial
|
||||
dimensions is the same whether the simulation box is orthogonal or
|
||||
triclinic; i.e. the circles are not tilted or scaled differently in
|
||||
the two different dimensions to transform them into ellipses.
|
||||
{bin/3d} styles. There are {ncbin} concentric circle bins in the
|
||||
radial direction from the cylinder axis with radii equally spaced
|
||||
between {crmin} and {crmax}. For example, if {crmin} = 1.0 and
|
||||
{crmax} = 10.0 and {ncbin} = 9, then the first bin spans 1.0 < r <
|
||||
2.0, and the last bin spans 9.0 < r 10.0. The geometry of the bins in
|
||||
the radial dimensions is the same whether the simulation box is
|
||||
orthogonal or triclinic; i.e. the concetric circles are not tilted or
|
||||
scaled differently in the two different dimensions to transform them
|
||||
into ellipses.
|
||||
|
||||
The created bins (and hence the chunk IDs) are numbered consecutively
|
||||
from 1 to the number of bins = {Nchunk}. For 2d and 3d bins, the
|
||||
from 1 to the number of bins = {Nchunk}. For {bin2d} and {bin3d}, the
|
||||
numbering varies most rapidly in the first dimension (which could be
|
||||
x, y, or z), next rapidly in the 2nd dimension, and most slowly in the
|
||||
3rd dimension. For spherical 1d bins, the innermost shell is chunk 1
|
||||
and the outermost shell is chunk Nchunk = {nsbin}. For cylindrical
|
||||
2d bins, the numbering varies most rapidly in the dimension along the
|
||||
cylinder axis and most slowly in the radial direction.
|
||||
3rd dimension. For {bin/sphere}, the bin with smallest radii is chunk
|
||||
1 and the bni with largest radii is chunk Nchunk = {ncbin}. For
|
||||
{bin/cylinder}, the numbering varies most rapidly in the dimension
|
||||
along the cylinder axis and most slowly in the radial direction.
|
||||
|
||||
Each time this compute is invoked, each atom is mapped to a bin based
|
||||
on its current position. Note that between reneighboring timesteps,
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute cluster/atom command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute cluster/atom command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -226,7 +226,7 @@ LAMMPS output options.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute cna/atom command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute cna/atom command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -238,7 +238,7 @@ above.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute com command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute com command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -210,7 +210,7 @@ distance <a class="reference internal" href="units.html"><em>units</em></a>.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute com/chunk command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute com/chunk command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -234,7 +234,7 @@ distance <a class="reference internal" href="units.html"><em>units</em></a>.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute contact/atom command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute contact/atom command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -203,7 +203,7 @@ above.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute coord/atom command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute coord/atom command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -242,7 +242,7 @@ explained above.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute damage/atom command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute damage/atom command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -206,7 +206,7 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute dihedral/local command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute dihedral/local command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -219,7 +219,7 @@ options.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute dilatation/atom command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute dilatation/atom command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -208,7 +208,7 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute displace/atom command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute displace/atom command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -222,7 +222,7 @@ options.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute erotate/asphere command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute erotate/asphere command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -216,7 +216,7 @@ particles.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute erotate/rigid command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute erotate/rigid command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -208,7 +208,7 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute erotate/sphere command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute erotate/sphere command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -208,7 +208,7 @@ contribute to the rotational energy.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute erotate/sphere/atom command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute erotate/sphere/atom command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -207,7 +207,7 @@ LAMMPS output options.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute event/displace command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute event/displace command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -214,7 +214,7 @@ for more info on packages.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute fep command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute fep command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -413,7 +413,7 @@ Liquids, Oxford University Press (1987)</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute group/group command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute group/group command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -261,7 +261,7 @@ The <em>ewald</em> and <em>pppm</em> styles do.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute gyration command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute gyration command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -222,7 +222,7 @@ distance^2 <a class="reference internal" href="units.html"><em>units</em></a> re
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute gyration/chunk command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute gyration/chunk command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -253,7 +253,7 @@ represented by the formula above.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute heat/flux command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute heat/flux command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -336,7 +336,7 @@ print "average conductivity: $k[W/mK] @ $T K, ${ndens} /A^3"
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute hexorder/atom command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute hexorder/atom command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -262,7 +262,7 @@ options.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute improper/local command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute improper/local command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -219,7 +219,7 @@ options.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute inertia/chunk command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute inertia/chunk command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -235,7 +235,7 @@ mass*distance^2 <a class="reference internal" href="units.html"><em>units</em></
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute ke command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute ke command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -211,7 +211,7 @@ scalar value will be in energy <a class="reference internal" href="units.html"><
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute ke/atom command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute ke/atom command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -200,7 +200,7 @@ LAMMPS output options.</p>
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
|
@ -8,7 +8,7 @@
|
|||
|
||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
||||
|
||||
<title>compute ke/atom/eff command — LAMMPS 9 Dec 2015 documentation</title>
|
||||
<title>compute ke/atom/eff command — LAMMPS 11 Dec 2015 documentation</title>
|
||||
|
||||
|
||||
|
||||
|
@ -32,7 +32,7 @@
|
|||
|
||||
|
||||
|
||||
<link rel="top" title="LAMMPS 9 Dec 2015 documentation" href="index.html"/>
|
||||
<link rel="top" title="LAMMPS 11 Dec 2015 documentation" href="index.html"/>
|
||||
|
||||
|
||||
<script src="_static/js/modernizr.min.js"></script>
|
||||
|
@ -225,7 +225,7 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
|
|||
<script type="text/javascript">
|
||||
var DOCUMENTATION_OPTIONS = {
|
||||
URL_ROOT:'./',
|
||||
VERSION:'9 Dec 2015',
|
||||
VERSION:'11 Dec 2015',
|
||||
COLLAPSE_INDEX:false,
|
||||
FILE_SUFFIX:'.html',
|
||||
HAS_SOURCE: true
|
||||
|
|
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Reference in New Issue