Page MenuHomec4science

bond_hybrid.html
No OneTemporary

File Metadata

Created
Sun, Nov 10, 13:00

bond_hybrid.html

<!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>bond_style hybrid command &mdash; 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">
<!-- Local TOC -->
<div class="local-toc"><ul>
<li><a class="reference internal" href="#">bond_style hybrid command</a><ul>
<li><a class="reference internal" href="#syntax">Syntax</a></li>
<li><a class="reference internal" href="#examples">Examples</a></li>
<li><a class="reference internal" href="#description">Description</a></li>
<li><a class="reference internal" href="#restrictions">Restrictions</a></li>
<li><a class="reference internal" href="#related-commands">Related commands</a></li>
</ul>
</li>
</ul>
</div>
</div>
&nbsp;
</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> &raquo;</li>
<li>bond_style hybrid 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="bond-style-hybrid-command">
<span id="index-0"></span><h1>bond_style hybrid command</h1>
<div class="section" id="syntax">
<h2>Syntax</h2>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">bond_style</span> <span class="n">hybrid</span> <span class="n">style1</span> <span class="n">style2</span> <span class="o">...</span>
</pre></div>
</div>
<ul class="simple">
<li>style1,style2 = list of one or more bond styles</li>
</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">bond_style</span> <span class="n">hybrid</span> <span class="n">harmonic</span> <span class="n">fene</span>
<span class="n">bond_coeff</span> <span class="mi">1</span> <span class="n">harmonic</span> <span class="mf">80.0</span> <span class="mf">1.2</span>
<span class="n">bond_coeff</span> <span class="mi">2</span><span class="o">*</span> <span class="n">fene</span> <span class="mf">30.0</span> <span class="mf">1.5</span> <span class="mf">1.0</span> <span class="mf">1.0</span>
</pre></div>
</div>
</div>
<div class="section" id="description">
<h2>Description</h2>
<p>The <em>hybrid</em> style enables the use of multiple bond styles in one
simulation. A bond style is assigned to each bond type. For example,
bonds in a polymer flow (of bond type 1) could be computed with a
<em>fene</em> potential and bonds in the wall boundary (of bond type 2) could
be computed with a <em>harmonic</em> potential. The assignment of bond type
to style is made via the <a class="reference internal" href="bond_coeff.html"><span class="doc">bond_coeff</span></a> command or in
the data file.</p>
<p>In the bond_coeff commands, the name of a bond style must be added
after the bond type, with the remaining coefficients being those
appropriate to that style. In the example above, the 2 bond_coeff
commands set bonds of bond type 1 to be computed with a <em>harmonic</em>
potential with coefficients 80.0, 1.2 for K, r0. All other bond types
(2-N) are computed with a <em>fene</em> potential with coefficients 30.0,
1.5, 1.0, 1.0 for K, R0, epsilon, sigma.</p>
<p>If bond coefficients are specified in the data file read via the
<a class="reference internal" href="read_data.html"><span class="doc">read_data</span></a> command, then the same rule applies.
E.g. &#8220;harmonic&#8221; or &#8220;fene&#8221; must be added after the bond type, for each
line in the &#8220;Bond Coeffs&#8221; section, e.g.</p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">Bond</span> <span class="n">Coeffs</span>
</pre></div>
</div>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="mi">1</span> <span class="n">harmonic</span> <span class="mf">80.0</span> <span class="mf">1.2</span>
<span class="mi">2</span> <span class="n">fene</span> <span class="mf">30.0</span> <span class="mf">1.5</span> <span class="mf">1.0</span> <span class="mf">1.0</span>
<span class="o">...</span>
</pre></div>
</div>
<p>A bond style of <em>none</em> with no additional coefficients can be used in
place of a bond style, either in a input script bond_coeff command or
in the data file, if you desire to turn off interactions for specific
bond types.</p>
</div>
<hr class="docutils" />
<div class="section" id="restrictions">
<h2>Restrictions</h2>
<p>This bond style can only be used if LAMMPS was built with the
MOLECULE package (which it is by default). See the <span class="xref std std-ref">Making LAMMPS</span> section for more info on packages.</p>
<p>Unlike other bond styles, the hybrid bond style does not store bond
coefficient info for individual sub-styles in a <a class="reference internal" href="restart.html"><span class="doc">binary restart files</span></a>. Thus when retarting a simulation from a restart
file, you need to re-specify bond_coeff commands.</p>
</div>
<div class="section" id="related-commands">
<h2>Related commands</h2>
<p><a class="reference internal" href="bond_coeff.html"><span class="doc">bond_coeff</span></a>, <a class="reference internal" href="delete_bonds.html"><span class="doc">delete_bonds</span></a></p>
<p><strong>Default:</strong> none</p>
</div>
</div>
</div>
</div>
<footer>
<hr/>
<div role="contentinfo">
<p>
&copy; 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