Added elastic constant example at finite temperature
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14098 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
athomps
@ -1,143 +1,17 @@
|
|||||||
|
<HTML>
|
||||||
|
<CENTER><A HREF = "Section_howto.html">Previous Section</A> - <A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A> - <A HREF = "Section_perf.html">Next Section</A>
|
||||||
|
</CENTER>
|
||||||
|
|
||||||
|
|
||||||
<!DOCTYPE html>
|
|
||||||
<!--[if IE 8]><html class="no-js lt-ie9" lang="en" > <![endif]-->
|
|
||||||
<!--[if gt IE 8]><!--> <html class="no-js" lang="en" > <!--<![endif]-->
|
|
||||||
<head>
|
|
||||||
<meta charset="utf-8">
|
|
||||||
|
|
||||||
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
|
||||||
|
|
||||||
<title>7. Example problems — LAMMPS 15 May 2015 version documentation</title>
|
|
||||||
|
|
||||||
|
|
||||||
|
<HR>
|
||||||
|
|
||||||
|
<H3>7. Example problems
|
||||||
|
</H3>
|
||||||
|
<P>The LAMMPS distribution includes an examples sub-directory with
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
<link rel="stylesheet" href="_static/css/theme.css" type="text/css" />
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
<link rel="stylesheet" href="_static/sphinxcontrib-images/LightBox2/lightbox2/css/lightbox.css" type="text/css" />
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
<link rel="top" title="LAMMPS 15 May 2015 version documentation" href="index.html"/>
|
|
||||||
<link rel="next" title="8. Performance & scalability" href="Section_perf.html"/>
|
|
||||||
<link rel="prev" title="6. How-to discussions" href="Section_howto.html"/>
|
|
||||||
|
|
||||||
|
|
||||||
<script src="_static/js/modernizr.min.js"></script>
|
|
||||||
|
|
||||||
</head>
|
|
||||||
|
|
||||||
<body class="wy-body-for-nav" role="document">
|
|
||||||
|
|
||||||
<div class="wy-grid-for-nav">
|
|
||||||
|
|
||||||
|
|
||||||
<nav data-toggle="wy-nav-shift" class="wy-nav-side">
|
|
||||||
<div class="wy-side-nav-search">
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
<a href="Manual.html" class="icon icon-home"> LAMMPS
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
</a>
|
|
||||||
|
|
||||||
|
|
||||||
<div role="search">
|
|
||||||
<form id="rtd-search-form" class="wy-form" action="search.html" method="get">
|
|
||||||
<input type="text" name="q" placeholder="Search docs" />
|
|
||||||
<input type="hidden" name="check_keywords" value="yes" />
|
|
||||||
<input type="hidden" name="area" value="default" />
|
|
||||||
</form>
|
|
||||||
</div>
|
|
||||||
|
|
||||||
|
|
||||||
</div>
|
|
||||||
|
|
||||||
<div class="wy-menu wy-menu-vertical" data-spy="affix" role="navigation" aria-label="main navigation">
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
<ul class="current">
|
|
||||||
<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
|
|
||||||
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
|
|
||||||
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
|
|
||||||
<li class="toctree-l1"><a class="reference internal" href="Section_packages.html">4. Packages</a></li>
|
|
||||||
<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
|
|
||||||
<li class="toctree-l1"><a class="reference internal" href="Section_howto.html">6. How-to discussions</a></li>
|
|
||||||
<li class="toctree-l1 current"><a class="current reference internal" href="">7. Example problems</a></li>
|
|
||||||
<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance & scalability</a></li>
|
|
||||||
<li class="toctree-l1"><a class="reference internal" href="Section_tools.html">9. Additional tools</a></li>
|
|
||||||
<li class="toctree-l1"><a class="reference internal" href="Section_modify.html">10. Modifying & extending LAMMPS</a></li>
|
|
||||||
<li class="toctree-l1"><a class="reference internal" href="Section_python.html">11. Python interface to LAMMPS</a></li>
|
|
||||||
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
|
|
||||||
<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
|
|
||||||
</ul>
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
</div>
|
|
||||||
|
|
||||||
</nav>
|
|
||||||
|
|
||||||
<section data-toggle="wy-nav-shift" class="wy-nav-content-wrap">
|
|
||||||
|
|
||||||
|
|
||||||
<nav class="wy-nav-top" role="navigation" aria-label="top navigation">
|
|
||||||
<i data-toggle="wy-nav-top" class="fa fa-bars"></i>
|
|
||||||
<a href="Manual.html">LAMMPS</a>
|
|
||||||
</nav>
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
<div class="wy-nav-content">
|
|
||||||
<div class="rst-content">
|
|
||||||
<div role="navigation" aria-label="breadcrumbs navigation">
|
|
||||||
<ul class="wy-breadcrumbs">
|
|
||||||
<li><a href="Manual.html">Docs</a> »</li>
|
|
||||||
|
|
||||||
<li>7. Example problems</li>
|
|
||||||
<li class="wy-breadcrumbs-aside">
|
|
||||||
|
|
||||||
|
|
||||||
<a href="http://lammps.sandia.gov">Website</a>
|
|
||||||
<a href="Section_commands.html#comm">Commands</a>
|
|
||||||
|
|
||||||
</li>
|
|
||||||
</ul>
|
|
||||||
<hr/>
|
|
||||||
|
|
||||||
<div class="rst-footer-buttons" style="margin-bottom: 1em" role="navigation" aria-label="footer navigation">
|
|
||||||
|
|
||||||
<a href="Section_perf.html" class="btn btn-neutral float-right" title="8. Performance & scalability" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
|
|
||||||
|
|
||||||
|
|
||||||
<a href="Section_howto.html" class="btn btn-neutral" title="6. How-to discussions" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
|
|
||||||
|
|
||||||
</div>
|
|
||||||
|
|
||||||
</div>
|
|
||||||
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
|
|
||||||
<div itemprop="articleBody">
|
|
||||||
|
|
||||||
<div class="section" id="example-problems">
|
|
||||||
<h1>7. Example problems<a class="headerlink" href="#example-problems" title="Permalink to this headline">¶</a></h1>
|
|
||||||
<p>The LAMMPS distribution includes an examples sub-directory with
|
|
||||||
several sample problems. Each problem is in a sub-directory of its
|
several sample problems. Each problem is in a sub-directory of its
|
||||||
own. Most are 2d models so that they run quickly, requiring at most a
|
own. Most are 2d models so that they run quickly, requiring at most a
|
||||||
couple of minutes to run on a desktop machine. Each problem has an
|
couple of minutes to run on a desktop machine. Each problem has an
|
||||||
@ -146,252 +20,111 @@ input script (in.*) and produces a log file (log.*) and dump file
|
|||||||
coordinates as additional input. A few sample log file outputs on
|
coordinates as additional input. A few sample log file outputs on
|
||||||
different machines and different numbers of processors are included in
|
different machines and different numbers of processors are included in
|
||||||
the directories to compare your answers to. E.g. a log file like
|
the directories to compare your answers to. E.g. a log file like
|
||||||
log.crack.foo.P means it ran on P processors of machine “foo”.</p>
|
log.crack.foo.P means it ran on P processors of machine "foo".
|
||||||
<p>For examples that use input data files, many of them were produced by
|
</P>
|
||||||
<a class="reference external" href="http://pizza.sandia.gov">Pizza.py</a> or setup tools described in the
|
<P>For examples that use input data files, many of them were produced by
|
||||||
<a class="reference internal" href="Section_tools.html"><em>Additional Tools</em></a> section of the LAMMPS
|
<A HREF = "http://pizza.sandia.gov">Pizza.py</A> or setup tools described in the
|
||||||
documentation and provided with the LAMMPS distribution.</p>
|
<A HREF = "Section_tools.html">Additional Tools</A> section of the LAMMPS
|
||||||
<p>If you uncomment the <a class="reference internal" href="dump.html"><em>dump</em></a> command in the input script, a
|
documentation and provided with the LAMMPS distribution.
|
||||||
|
</P>
|
||||||
|
<P>If you uncomment the <A HREF = "dump.html">dump</A> command in the input script, a
|
||||||
text dump file will be produced, which can be animated by various
|
text dump file will be produced, which can be animated by various
|
||||||
<a class="reference external" href="http://lammps.sandia.gov/viz.html">visualization programs</a>. It can
|
<A HREF = "http://lammps.sandia.gov/viz.html">visualization programs</A>. It can
|
||||||
also be animated using the xmovie tool described in the <a class="reference internal" href="Section_tools.html"><em>Additional Tools</em></a> section of the LAMMPS documentation.</p>
|
also be animated using the xmovie tool described in the <A HREF = "Section_tools.html">Additional
|
||||||
<p>If you uncomment the <a class="reference internal" href="dump.html"><em>dump image</em></a> command in the input
|
Tools</A> section of the LAMMPS documentation.
|
||||||
|
</P>
|
||||||
|
<P>If you uncomment the <A HREF = "dump.html">dump image</A> command in the input
|
||||||
script, and assuming you have built LAMMPS with a JPG library, JPG
|
script, and assuming you have built LAMMPS with a JPG library, JPG
|
||||||
snapshot images will be produced when the simulation runs. They can
|
snapshot images will be produced when the simulation runs. They can
|
||||||
be quickly post-processed into a movie using commands described on the
|
be quickly post-processed into a movie using commands described on the
|
||||||
<a class="reference internal" href="dump_image.html"><em>dump image</em></a> doc page.</p>
|
<A HREF = "dump_image.html">dump image</A> doc page.
|
||||||
<p>Animations of many of these examples can be viewed on the Movies
|
</P>
|
||||||
section of the <a class="reference external" href="http://lammps.sandia.gov">LAMMPS WWW Site</a>.</p>
|
<P>Animations of many of these examples can be viewed on the Movies
|
||||||
<p>These are the sample problems in the examples sub-directories:</p>
|
section of the <A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A>.
|
||||||
<table border="1" class="docutils">
|
</P>
|
||||||
<colgroup>
|
<P>These are the sample problems in the examples sub-directories:
|
||||||
<col width="15%" />
|
</P>
|
||||||
<col width="85%" />
|
<DIV ALIGN=center><TABLE WIDTH="0%" BORDER=1 >
|
||||||
</colgroup>
|
<TR><TD >balance</TD><TD > dynamic load balancing, 2d system</TD></TR>
|
||||||
<tbody valign="top">
|
<TR><TD >body</TD><TD > body particles, 2d system</TD></TR>
|
||||||
<tr class="row-odd"><td>balance</td>
|
<TR><TD >colloid</TD><TD > big colloid particles in a small particle solvent, 2d system</TD></TR>
|
||||||
<td>dynamic load balancing, 2d system</td>
|
<TR><TD >comb</TD><TD > models using the COMB potential</TD></TR>
|
||||||
</tr>
|
<TR><TD >crack</TD><TD > crack propagation in a 2d solid</TD></TR>
|
||||||
<tr class="row-even"><td>body</td>
|
<TR><TD >cuda</TD><TD > use of the USER-CUDA package for GPU acceleration</TD></TR>
|
||||||
<td>body particles, 2d system</td>
|
<TR><TD >dipole</TD><TD > point dipolar particles, 2d system</TD></TR>
|
||||||
</tr>
|
<TR><TD >dreiding</TD><TD > methanol via Dreiding FF</TD></TR>
|
||||||
<tr class="row-odd"><td>colloid</td>
|
<TR><TD >eim</TD><TD > NaCl using the EIM potential</TD></TR>
|
||||||
<td>big colloid particles in a small particle solvent, 2d system</td>
|
<TR><TD >ellipse</TD><TD > ellipsoidal particles in spherical solvent, 2d system</TD></TR>
|
||||||
</tr>
|
<TR><TD >flow</TD><TD > Couette and Poiseuille flow in a 2d channel</TD></TR>
|
||||||
<tr class="row-even"><td>comb</td>
|
<TR><TD >friction</TD><TD > frictional contact of spherical asperities between 2d surfaces</TD></TR>
|
||||||
<td>models using the COMB potential</td>
|
<TR><TD >gpu</TD><TD > use of the GPU package for GPU acceleration</TD></TR>
|
||||||
</tr>
|
<TR><TD >hugoniostat</TD><TD > Hugoniostat shock dynamics</TD></TR>
|
||||||
<tr class="row-odd"><td>crack</td>
|
<TR><TD >indent</TD><TD > spherical indenter into a 2d solid</TD></TR>
|
||||||
<td>crack propagation in a 2d solid</td>
|
<TR><TD >intel</TD><TD > use of the USER-INTEL package for CPU or Intel(R) Xeon Phi(TM) coprocessor</TD></TR>
|
||||||
</tr>
|
<TR><TD >kim</TD><TD > use of potentials in Knowledge Base for Interatomic Models (KIM)</TD></TR>
|
||||||
<tr class="row-even"><td>cuda</td>
|
<TR><TD >line</TD><TD > line segment particles in 2d rigid bodies</TD></TR>
|
||||||
<td>use of the USER-CUDA package for GPU acceleration</td>
|
<TR><TD >meam</TD><TD > MEAM test for SiC and shear (same as shear examples)</TD></TR>
|
||||||
</tr>
|
<TR><TD >melt</TD><TD > rapid melt of 3d LJ system</TD></TR>
|
||||||
<tr class="row-odd"><td>dipole</td>
|
<TR><TD >micelle</TD><TD > self-assembly of small lipid-like molecules into 2d bilayers</TD></TR>
|
||||||
<td>point dipolar particles, 2d system</td>
|
<TR><TD >min</TD><TD > energy minimization of 2d LJ melt</TD></TR>
|
||||||
</tr>
|
<TR><TD >msst</TD><TD > MSST shock dynamics</TD></TR>
|
||||||
<tr class="row-even"><td>dreiding</td>
|
<TR><TD >nb3b</TD><TD > use of nonbonded 3-body harmonic pair style</TD></TR>
|
||||||
<td>methanol via Dreiding FF</td>
|
<TR><TD >neb</TD><TD > nudged elastic band (NEB) calculation for barrier finding</TD></TR>
|
||||||
</tr>
|
<TR><TD >nemd</TD><TD > non-equilibrium MD of 2d sheared system</TD></TR>
|
||||||
<tr class="row-odd"><td>eim</td>
|
<TR><TD >obstacle</TD><TD > flow around two voids in a 2d channel</TD></TR>
|
||||||
<td>NaCl using the EIM potential</td>
|
<TR><TD >peptide</TD><TD > dynamics of a small solvated peptide chain (5-mer)</TD></TR>
|
||||||
</tr>
|
<TR><TD >peri</TD><TD > Peridynamic model of cylinder impacted by indenter</TD></TR>
|
||||||
<tr class="row-even"><td>ellipse</td>
|
<TR><TD >pour</TD><TD > pouring of granular particles into a 3d box, then chute flow</TD></TR>
|
||||||
<td>ellipsoidal particles in spherical solvent, 2d system</td>
|
<TR><TD >prd</TD><TD > parallel replica dynamics of vacancy diffusion in bulk Si</TD></TR>
|
||||||
</tr>
|
<TR><TD >qeq</TD><TD > use of the QEQ pacakge for charge equilibration</TD></TR>
|
||||||
<tr class="row-odd"><td>flow</td>
|
<TR><TD >reax</TD><TD > RDX and TATB models using the ReaxFF</TD></TR>
|
||||||
<td>Couette and Poiseuille flow in a 2d channel</td>
|
<TR><TD >rigid</TD><TD > rigid bodies modeled as independent or coupled</TD></TR>
|
||||||
</tr>
|
<TR><TD >shear</TD><TD > sideways shear applied to 2d solid, with and without a void</TD></TR>
|
||||||
<tr class="row-even"><td>friction</td>
|
<TR><TD >snap</TD><TD > NVE dynamics for BCC tantalum crystal using SNAP potential</TD></TR>
|
||||||
<td>frictional contact of spherical asperities between 2d surfaces</td>
|
<TR><TD >srd</TD><TD > stochastic rotation dynamics (SRD) particles as solvent</TD></TR>
|
||||||
</tr>
|
<TR><TD >tad</TD><TD > temperature-accelerated dynamics of vacancy diffusion in bulk Si</TD></TR>
|
||||||
<tr class="row-odd"><td>gpu</td>
|
<TR><TD >tri</TD><TD > triangular particles in rigid bodies
|
||||||
<td>use of the GPU package for GPU acceleration</td>
|
</TD></TR></TABLE></DIV>
|
||||||
</tr>
|
|
||||||
<tr class="row-even"><td>hugoniostat</td>
|
<P>Here is how you might run and visualize one of the sample problems:
|
||||||
<td>Hugoniostat shock dynamics</td>
|
</P>
|
||||||
</tr>
|
<PRE>cd indent
|
||||||
<tr class="row-odd"><td>indent</td>
|
|
||||||
<td>spherical indenter into a 2d solid</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-even"><td>intel</td>
|
|
||||||
<td>use of the USER-INTEL package for CPU or Intel(R) Xeon Phi(TM) coprocessor</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-odd"><td>kim</td>
|
|
||||||
<td>use of potentials in Knowledge Base for Interatomic Models (KIM)</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-even"><td>line</td>
|
|
||||||
<td>line segment particles in 2d rigid bodies</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-odd"><td>meam</td>
|
|
||||||
<td>MEAM test for SiC and shear (same as shear examples)</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-even"><td>melt</td>
|
|
||||||
<td>rapid melt of 3d LJ system</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-odd"><td>micelle</td>
|
|
||||||
<td>self-assembly of small lipid-like molecules into 2d bilayers</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-even"><td>min</td>
|
|
||||||
<td>energy minimization of 2d LJ melt</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-odd"><td>msst</td>
|
|
||||||
<td>MSST shock dynamics</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-even"><td>nb3b</td>
|
|
||||||
<td>use of nonbonded 3-body harmonic pair style</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-odd"><td>neb</td>
|
|
||||||
<td>nudged elastic band (NEB) calculation for barrier finding</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-even"><td>nemd</td>
|
|
||||||
<td>non-equilibrium MD of 2d sheared system</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-odd"><td>obstacle</td>
|
|
||||||
<td>flow around two voids in a 2d channel</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-even"><td>peptide</td>
|
|
||||||
<td>dynamics of a small solvated peptide chain (5-mer)</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-odd"><td>peri</td>
|
|
||||||
<td>Peridynamic model of cylinder impacted by indenter</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-even"><td>pour</td>
|
|
||||||
<td>pouring of granular particles into a 3d box, then chute flow</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-odd"><td>prd</td>
|
|
||||||
<td>parallel replica dynamics of vacancy diffusion in bulk Si</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-even"><td>qeq</td>
|
|
||||||
<td>use of the QEQ pacakge for charge equilibration</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-odd"><td>reax</td>
|
|
||||||
<td>RDX and TATB models using the ReaxFF</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-even"><td>rigid</td>
|
|
||||||
<td>rigid bodies modeled as independent or coupled</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-odd"><td>shear</td>
|
|
||||||
<td>sideways shear applied to 2d solid, with and without a void</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-even"><td>snap</td>
|
|
||||||
<td>NVE dynamics for BCC tantalum crystal using SNAP potential</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-odd"><td>srd</td>
|
|
||||||
<td>stochastic rotation dynamics (SRD) particles as solvent</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-even"><td>tad</td>
|
|
||||||
<td>temperature-accelerated dynamics of vacancy diffusion in bulk Si</td>
|
|
||||||
</tr>
|
|
||||||
<tr class="row-odd"><td>tri</td>
|
|
||||||
<td>triangular particles in rigid bodies</td>
|
|
||||||
</tr>
|
|
||||||
</tbody>
|
|
||||||
</table>
|
|
||||||
<p>Here is how you might run and visualize one of the sample problems:</p>
|
|
||||||
<div class="highlight-python"><div class="highlight"><pre>cd indent
|
|
||||||
cp ../../src/lmp_linux . # copy LAMMPS executable to this dir
|
cp ../../src/lmp_linux . # copy LAMMPS executable to this dir
|
||||||
lmp_linux -in in.indent # run the problem
|
lmp_linux -in in.indent # run the problem
|
||||||
</pre></div>
|
</PRE>
|
||||||
</div>
|
<P>Running the simulation produces the files <I>dump.indent</I> and
|
||||||
<p>Running the simulation produces the files <em>dump.indent</em> and
|
<I>log.lammps</I>. You can visualize the dump file as follows:
|
||||||
<em>log.lammps</em>. You can visualize the dump file as follows:</p>
|
</P>
|
||||||
<div class="highlight-python"><div class="highlight"><pre>../../tools/xmovie/xmovie -scale dump.indent
|
<PRE>../../tools/xmovie/xmovie -scale dump.indent
|
||||||
</pre></div>
|
</PRE>
|
||||||
</div>
|
<P>If you uncomment the <A HREF = "dump_image.html">dump image</A> line(s) in the input
|
||||||
<p>If you uncomment the <a class="reference internal" href="dump_image.html"><em>dump image</em></a> line(s) in the input
|
|
||||||
script a series of JPG images will be produced by the run. These can
|
script a series of JPG images will be produced by the run. These can
|
||||||
be viewed individually or turned into a movie or animated by tools
|
be viewed individually or turned into a movie or animated by tools
|
||||||
like ImageMagick or QuickTime or various Windows-based tools. See the
|
like ImageMagick or QuickTime or various Windows-based tools. See the
|
||||||
<a class="reference internal" href="dump_image.html"><em>dump image</em></a> doc page for more details. E.g. this
|
<A HREF = "dump_image.html">dump image</A> doc page for more details. E.g. this
|
||||||
Imagemagick command would create a GIF file suitable for viewing in a
|
Imagemagick command would create a GIF file suitable for viewing in a
|
||||||
browser.</p>
|
browser.
|
||||||
<div class="highlight-python"><div class="highlight"><pre>% convert -loop 1 *.jpg foo.gif
|
</P>
|
||||||
</pre></div>
|
<PRE>% convert -loop 1 *.jpg foo.gif
|
||||||
</div>
|
</PRE>
|
||||||
<hr class="docutils" />
|
<HR>
|
||||||
<p>There is also a COUPLE directory with examples of how to use LAMMPS as
|
|
||||||
|
<P>There is also a COUPLE directory with examples of how to use LAMMPS as
|
||||||
a library, either by itself or in tandem with another code or library.
|
a library, either by itself or in tandem with another code or library.
|
||||||
See the COUPLE/README file to get started.</p>
|
See the COUPLE/README file to get started.
|
||||||
<p>There is also an ELASTIC directory with an example script for
|
</P>
|
||||||
computing elastic constants, using a zero temperature Si example. See
|
<P>There is also an ELASTIC directory with an example script for
|
||||||
the in.elastic file for more info.</p>
|
computing elastic constants at zero temperature, using an Si example. See
|
||||||
<p>There is also a USER directory which contains subdirectories of
|
the ELASTIC/in.elastic file for more info.
|
||||||
|
</P>
|
||||||
|
<P>There is also an ELASTIC_T directory with an example script for
|
||||||
|
computing elastic constants at finite temperature, using an Si example. See
|
||||||
|
the ELASTIC_T/in.elastic file for more info.
|
||||||
|
</P>
|
||||||
|
<P>There is also a USER directory which contains subdirectories of
|
||||||
user-provided examples for user packages. See the README files in
|
user-provided examples for user packages. See the README files in
|
||||||
those directories for more info. See the
|
those directories for more info. See the
|
||||||
<a class="reference internal" href="Section_start.html"><em>Section_start.html</em></a> file for more info about user
|
<A HREF = "Section_start.html">Section_start.html</A> file for more info about user
|
||||||
packages.</p>
|
packages.
|
||||||
</div>
|
</P>
|
||||||
|
</HTML>
|
||||||
|
|
||||||
</div>
|
|
||||||
</div>
|
|
||||||
<footer>
|
|
||||||
|
|
||||||
<div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
|
|
||||||
|
|
||||||
<a href="Section_perf.html" class="btn btn-neutral float-right" title="8. Performance & scalability" accesskey="n">Next <span class="fa fa-arrow-circle-right"></span></a>
|
|
||||||
|
|
||||||
|
|
||||||
<a href="Section_howto.html" class="btn btn-neutral" title="6. How-to discussions" accesskey="p"><span class="fa fa-arrow-circle-left"></span> Previous</a>
|
|
||||||
|
|
||||||
</div>
|
|
||||||
|
|
||||||
|
|
||||||
<hr/>
|
|
||||||
|
|
||||||
<div role="contentinfo">
|
|
||||||
<p>
|
|
||||||
© Copyright .
|
|
||||||
</p>
|
|
||||||
</div>
|
|
||||||
Built with <a href="http://sphinx-doc.org/">Sphinx</a> using a <a href="https://github.com/snide/sphinx_rtd_theme">theme</a> provided by <a href="https://readthedocs.org">Read the Docs</a>.
|
|
||||||
|
|
||||||
</footer>
|
|
||||||
|
|
||||||
</div>
|
|
||||||
</div>
|
|
||||||
|
|
||||||
</section>
|
|
||||||
|
|
||||||
</div>
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
<script type="text/javascript">
|
|
||||||
var DOCUMENTATION_OPTIONS = {
|
|
||||||
URL_ROOT:'./',
|
|
||||||
VERSION:'15 May 2015 version',
|
|
||||||
COLLAPSE_INDEX:false,
|
|
||||||
FILE_SUFFIX:'.html',
|
|
||||||
HAS_SOURCE: true
|
|
||||||
};
|
|
||||||
</script>
|
|
||||||
<script type="text/javascript" src="_static/jquery.js"></script>
|
|
||||||
<script type="text/javascript" src="_static/underscore.js"></script>
|
|
||||||
<script type="text/javascript" src="_static/doctools.js"></script>
|
|
||||||
<script type="text/javascript" src="https://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML"></script>
|
|
||||||
<script type="text/javascript" src="_static/sphinxcontrib-images/LightBox2/lightbox2/js/jquery-1.11.0.min.js"></script>
|
|
||||||
<script type="text/javascript" src="_static/sphinxcontrib-images/LightBox2/lightbox2/js/lightbox.min.js"></script>
|
|
||||||
<script type="text/javascript" src="_static/sphinxcontrib-images/LightBox2/lightbox2-customize/jquery-noconflict.js"></script>
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
<script type="text/javascript" src="_static/js/theme.js"></script>
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
<script type="text/javascript">
|
|
||||||
jQuery(function () {
|
|
||||||
SphinxRtdTheme.StickyNav.enable();
|
|
||||||
});
|
|
||||||
</script>
|
|
||||||
|
|
||||||
|
|
||||||
</body>
|
|
||||||
</html>
|
|
||||||
|
|||||||
@ -109,8 +109,12 @@ a library, either by itself or in tandem with another code or library.
|
|||||||
See the COUPLE/README file to get started.
|
See the COUPLE/README file to get started.
|
||||||
|
|
||||||
There is also an ELASTIC directory with an example script for
|
There is also an ELASTIC directory with an example script for
|
||||||
computing elastic constants, using a zero temperature Si example. See
|
computing elastic constants at zero temperature, using an Si example. See
|
||||||
the in.elastic file for more info.
|
the ELASTIC/in.elastic file for more info.
|
||||||
|
|
||||||
|
There is also an ELASTIC_T directory with an example script for
|
||||||
|
computing elastic constants at finite temperature, using an Si example. See
|
||||||
|
the ELASTIC_T/in.elastic file for more info.
|
||||||
|
|
||||||
There is also a USER directory which contains subdirectories of
|
There is also a USER directory which contains subdirectories of
|
||||||
user-provided examples for user packages. See the README files in
|
user-provided examples for user packages. See the README files in
|
||||||
|
|||||||
Reference in New Issue
Block a user