Diffusion lammps (efficient_neuronet) Browse

fix_nve_body.html
311649293d08efficient_neuronet

fix_nve_body.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>fix nve/body command — LAMMPS 15 May 2015 version 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 15 May 2015 version 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>fix nve/body 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="fix-nve-body-command">
			<span id="index-0"></span><h1>fix nve/body command<a class="headerlink" href="#fix-nve-body-command" title="Permalink to this headline">¶</a></h1>
			<div class="section" id="syntax">
			<h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline">¶</a></h2>
			<div class="highlight-python"><div class="highlight"><pre>fix ID group-ID nve/body
			</pre></div>
			</div>
			<ul class="simple">
			<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><em>fix</em></a> command</li>
			<li>nve/body = style name of this fix command</li>
			</ul>
			</div>
			<div class="section" id="examples">
			<h2>Examples<a class="headerlink" href="#examples" title="Permalink to this headline">¶</a></h2>
			<div class="highlight-python"><div class="highlight"><pre>fix 1 all nve/body
			</pre></div>
			</div>
			</div>
			<div class="section" id="description">
			<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline">¶</a></h2>
			<p>Perform constant NVE integration to update position, velocity,
			orientation, and angular velocity for body particles in the group each
			timestep. V is volume; E is energy. This creates a system trajectory
			consistent with the microcanonical ensemble. See <a class="reference internal" href="Section_howto.html#howto-14"><span>Section_howto 14</span></a> of the manual and the <a class="reference internal" href="body.html"><em>body</em></a>
			doc page for more details on using body particles.</p>
			<p>This fix differs from the <a class="reference internal" href="fix_nve.html"><em>fix nve</em></a> command, which
			assumes point particles and only updates their position and velocity.</p>
			</div>
			<div class="section" id="restart-fix-modify-output-run-start-stop-minimize-info">
			<h2>Restart, fix_modify, output, run start/stop, minimize info<a class="headerlink" href="#restart-fix-modify-output-run-start-stop-minimize-info" title="Permalink to this headline">¶</a></h2>
			<p>No information about this fix is written to <a class="reference internal" href="restart.html"><em>binary restart files</em></a>. None of the <a class="reference internal" href="fix_modify.html"><em>fix_modify</em></a> options
			are relevant to this fix. No global or per-atom quantities are stored
			by this fix for access by various <a class="reference internal" href="Section_howto.html#howto-15"><span>output commands</span></a>. No parameter of this fix can
			be used with the <em>start/stop</em> keywords of the <a class="reference internal" href="run.html"><em>run</em></a> command.
			This fix is not invoked during <a class="reference internal" href="minimize.html"><em>energy minimization</em></a>.</p>
			</div>
			<div class="section" id="restrictions">
			<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline">¶</a></h2>
			<p>This fix is part of the BODY package. It is only enabled if LAMMPS
			was built with that package. See the <a class="reference internal" href="Section_start.html#start-3"><span>Making LAMMPS</span></a> section for more info.</p>
			<p>This fix requires that atoms store torque and angular momementum and a
			quaternion as defined by the <a class="reference internal" href="atom_style.html"><em>atom_style body</em></a>
			command.</p>
			<p>All particles in the group must be body particles. They cannot be
			point particles.</p>
			</div>
			<div class="section" id="related-commands">
			<h2>Related commands<a class="headerlink" href="#related-commands" title="Permalink to this headline">¶</a></h2>
			<p><a class="reference internal" href="fix_nve.html"><em>fix nve</em></a>, <a class="reference internal" href="fix_nve_sphere.html"><em>fix nve/sphere</em></a>, <a class="reference internal" href="fix_nve_asphere.html"><em>fix nve/asphere</em></a></p>
			<p><strong>Default:</strong> none</p>
			</div>
			</div>


			</div>
			</div>
			<footer>


			<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>

lammps/doc/fix_nve_body.html311649293d08efficient_neuronet

fix_nve_body.htmlView Options

lammps/doc/fix_nve_body.html
311649293d08efficient_neuronet

fix_nve_body.html
View Options