Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F96193837
timestep.html
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Mon, Dec 23, 15:42
Size
8 KB
Mime Type
text/html
Expires
Wed, Dec 25, 15:42 (2 d)
Engine
blob
Format
Raw Data
Handle
23141983
Attached To
rLAMMPS lammps
timestep.html
View Options
<!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>timestep command — LAMMPS documentation</title>
<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 documentation" href="index.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>
<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"><a class="reference internal" href="Section_example.html">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>timestep command</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>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
<div class="section" id="timestep-command">
<span id="index-0"></span><h1>timestep command</h1>
<div class="section" id="syntax">
<h2>Syntax</h2>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">timestep</span> <span class="n">dt</span>
</pre></div>
</div>
<ul class="simple">
<li>dt = timestep size (time units)</li>
</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">timestep</span> <span class="mf">2.0</span>
<span class="n">timestep</span> <span class="mf">0.003</span>
</pre></div>
</div>
</div>
<div class="section" id="description">
<h2>Description</h2>
<p>Set the timestep size for subsequent molecular dynamics simulations.
See the <a class="reference internal" href="units.html"><span class="doc">units</span></a> command for the time units associated with
each choice of units that LAMMPS supports.</p>
<p>The default value for the timestep size also depends on the choice of
units for the simulation; see the default values below.</p>
<p>When the <a class="reference internal" href="run_style.html"><span class="doc">run style</span></a> is <em>respa</em>, dt is the timestep for
the outer loop (largest) timestep.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions</h2>
<blockquote>
<div>none</div></blockquote>
</div>
<div class="section" id="related-commands">
<h2>Related commands</h2>
<p><a class="reference internal" href="fix_dt_reset.html"><span class="doc">fix dt/reset</span></a>, <a class="reference internal" href="run.html"><span class="doc">run</span></a>,
<a class="reference internal" href="run_style.html"><span class="doc">run_style</span></a> respa, <a class="reference internal" href="units.html"><span class="doc">units</span></a></p>
</div>
<div class="section" id="default">
<h2>Default</h2>
<table border="1" class="docutils">
<colgroup>
<col width="48%" />
<col width="18%" />
<col width="34%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td>choice of <a class="reference internal" href="units.html"><span class="doc">units</span></a></td>
<td>time units</td>
<td>default timestep size</td>
</tr>
<tr class="row-even"><td>lj</td>
<td>tau</td>
<td>0.005 tau</td>
</tr>
<tr class="row-odd"><td>real</td>
<td>fmsec</td>
<td>1.0 fmsec</td>
</tr>
<tr class="row-even"><td>metal</td>
<td>psec</td>
<td>0.001 psec</td>
</tr>
<tr class="row-odd"><td>si</td>
<td>sec</td>
<td>1.0e-8 sec (10 nsec)</td>
</tr>
<tr class="row-even"><td>cgs</td>
<td>sec</td>
<td>1.0e-8 sec (10 nsec)</td>
</tr>
<tr class="row-odd"><td>electron</td>
<td>fmsec</td>
<td>0.001 fmsec</td>
</tr>
<tr class="row-even"><td>micro</td>
<td>usec</td>
<td>2.0 usec</td>
</tr>
<tr class="row-odd"><td>nano</td>
<td>nsec</td>
<td>0.00045 nsec</td>
</tr>
</tbody>
</table>
</div>
</div>
</div>
</div>
<footer>
<hr/>
<div role="contentinfo">
<p>
© Copyright 2013 Sandia Corporation.
</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:'',
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>
Event Timeline
Log In to Comment