Homec4science
Diffusion lammps (master) Browse

lammps/doc/USER/atc/man_time_filter.html
6297a32d9b46master

Last Change
Raw File

man_time_filter.html
View Options

<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
<html xmlns="http://www.w3.org/1999/xhtml">
<head>
<meta http-equiv="Content-Type" content="text/xhtml;charset=UTF-8"/>
<title>ATC: fix_modify AtC filter</title>
<link href="tabs.css" rel="stylesheet" type="text/css"/>
<link href="doxygen.css" rel="stylesheet" type="text/css"/>
</head>
<body>
<!-- Generated by Doxygen 1.6.1 -->
<div class="navigation" id="top">
<div class="tabs">
<ul>
<li><a href="index.html"><span>Main&nbsp;Page</span></a></li>
<li class="current"><a href="pages.html"><span>Related&nbsp;Pages</span></a></li>
<li><a href="namespaces.html"><span>Namespaces</span></a></li>
<li><a href="annotated.html"><span>Classes</span></a></li>
<li><a href="files.html"><span>Files</span></a></li>
<li><a href="dirs.html"><span>Directories</span></a></li>
</ul>
</div>
</div>
<div class="contents">
<h1><a class="anchor" id="man_time_filter">fix_modify AtC filter </a></h1><h2><a class="anchor" id="syntax">
syntax</a></h2>
<p>fix_modify AtC filter &lt;on | off | equilibrate&gt; <br/>
</p>
<ul>
<li>on | off (keyword) = turns filter on or off<br/>
</li>
<li>equilibrate = runs dynamics without filtering but initializes filtered quantities </li>
</ul>
<h2><a class="anchor" id="examples">
examples</a></h2>
<p><code> fix_modify atc transfer filter on </code> <br/>
</p>
<h2><a class="anchor" id="description">
description</a></h2>
<p>Filters the MD dynamics to construct a more appropriate continuous field. Equilibrating first filters the time derivatives without changing the dynamics to provide a better initial condition to the filtered dynamics</p>
<h2><a class="anchor" id="restrictions">
restrictions</a></h2>
<p>only for be used with specific transfers: thermal, two_temperature</p>
<h2><a class="anchor" id="related">
related</a></h2>
<p><a class="el" href="man_filter_scale.html">fix_modify AtC filter scale</a> <br/>
<a class="el" href="man_equilibrium_start.html">fix_modify AtC equilibrium_start</a></p>
<h2><a class="anchor" id="default">
default</a></h2>
<p>off </p>
</div>
<hr size="1"/><address style="text-align: right;"><small>Generated on 21 Aug 2013 for ATC by&nbsp;
<a href="http://www.doxygen.org/index.html">
<img class="footer" src="doxygen.png" alt="doxygen"/></a> 1.6.1 </small></address>
</body>
</html>
c4science · Help