forked from lijiext/lammps
39 lines
2.2 KiB
HTML
39 lines
2.2 KiB
HTML
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<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
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<html><head><meta http-equiv="Content-Type" content="text/html;charset=iso-8859-1">
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<title>ATC: fix_modify AtC transfer computes</title>
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<link href="doxygen.css" rel="stylesheet" type="text/css">
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</head><body>
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<!-- Generated by Doxygen 1.3.9.1 -->
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<h1><a class="anchor" name="man_hardy_computes">fix_modify AtC transfer computes</a></h1><h2><a class="anchor" name="syntax">
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syntax</a></h2>
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fix_modify AtC transfer computes <add | delete> [per-atom compute id] <volume | number> <br>
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<ul>
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<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>
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</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>
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</li><li>volume | number (keyword) = field created is a per-unit-volume quantity or a per-atom quantity as weighted by kernel functions <br>
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</li></ul>
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<h2><a class="anchor" name="examples">
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examples</a></h2>
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<code> compute virial all stress/atom </code> <br>
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<code> fix_modify AtC transfer computes add virial volume </code> <br>
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<code> fix_modify AtC transfer computes delete virial </code> <br>
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<br>
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<code> compute centrosymmetry all centro/atom </code> <br>
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<code> fix_modify AtC transfer computes add centrosymmetry number </code> <br>
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<h2><a class="anchor" name="description">
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description</a></h2>
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Calculates continuum fields corresponding to specified per-atom computes created by LAMMPS <br>
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<h2><a class="anchor" name="restrictions">
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restrictions</a></h2>
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Must be used with the hardy AtC transfer ( see <a class="el" href="man_fix_atc.html">fix atc command</a> ) <br>
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Per-atom compute must be specified before corresponding continuum field can be requested <br>
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<h2><a class="anchor" name="related">
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related</a></h2>
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See manual page for compute <h2><a class="anchor" name="default">
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default</a></h2>
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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
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<a href="http://www.doxygen.org/index.html">
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<img src="doxygen.png" alt="doxygen" align="middle" border="0"></a> 1.3.9.1 </small></address>
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</body>
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</html>
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