Page MenuHomec4science

man_hardy_computes.html
No OneTemporary

File Metadata

Created
Sat, Aug 31, 17:17

man_hardy_computes.html

<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
<html><head><meta http-equiv="Content-Type" content="text/html;charset=iso-8859-1">
<title>ATC: fix_modify AtC transfer computes</title>
<link href="doxygen.css" rel="stylesheet" type="text/css">
</head><body>
<!-- Generated by Doxygen 1.3.9.1 -->
<h1><a class="anchor" name="man_hardy_computes">fix_modify AtC transfer computes</a></h1><h2><a class="anchor" name="syntax">
syntax</a></h2>
fix_modify AtC transfer computes &lt;add | delete&gt; [per-atom compute id] &lt;volume | number&gt; <br>
<ul>
<li>add | delete (keyword) = add or delete the calculation of an equivalent continuum field for the specified per-atom compute as volume or number density quantity <br>
</li><li>per-atom compute id = name/id for per-atom compute, fields can be calculated for all per-atom computes available from LAMMPS <br>
</li><li>volume | number (keyword) = field created is a per-unit-volume quantity or a per-atom quantity as weighted by kernel functions <br>
</li></ul>
<h2><a class="anchor" name="examples">
examples</a></h2>
<code> compute virial all stress/atom </code> <br>
<code> fix_modify AtC transfer computes add virial volume </code> <br>
<code> fix_modify AtC transfer computes delete virial </code> <br>
<br>
<code> compute centrosymmetry all centro/atom </code> <br>
<code> fix_modify AtC transfer computes add centrosymmetry number </code> <br>
<h2><a class="anchor" name="description">
description</a></h2>
Calculates continuum fields corresponding to specified per-atom computes created by LAMMPS <br>
<h2><a class="anchor" name="restrictions">
restrictions</a></h2>
Must be used with the hardy AtC transfer ( see <a class="el" href="man_fix_atc.html">fix atc command</a> ) <br>
Per-atom compute must be specified before corresponding continuum field can be requested <br>
<h2><a class="anchor" name="related">
related</a></h2>
See manual page for compute <h2><a class="anchor" name="default">
default</a></h2>
No defaults exist for this command <hr size="1"><address style="align: right;"><small>Generated on Mon Aug 17 09:35:16 2009 for ATC by&nbsp;
<a href="http://www.doxygen.org/index.html">
<img src="doxygen.png" alt="doxygen" align="middle" border="0"></a> 1.3.9.1 </small></address>
</body>
</html>

Event Timeline