forked from lijiext/lammps
68 lines
2.9 KiB
HTML
68 lines
2.9 KiB
HTML
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<title>ATC: fix_modify AtC computes</title>
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<h1><a class="anchor" id="man_hardy_computes">fix_modify AtC computes </a></h1><h2><a class="anchor" id="syntax">
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syntax</a></h2>
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<p>fix_modify AtC computes <add | delete> [per-atom compute id] <volume | number> <br/>
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</p>
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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>
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<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>
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<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>
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</ul>
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<h2><a class="anchor" id="examples">
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examples</a></h2>
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<p><code> compute virial all stress/atom </code> <br/>
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<code> fix_modify AtC computes add virial volume </code> <br/>
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<code> fix_modify AtC 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 computes add centrosymmetry number </code> <br/>
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</p>
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<h2><a class="anchor" id="description">
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description</a></h2>
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<p>Calculates continuum fields corresponding to specified per-atom computes created by LAMMPS <br/>
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</p>
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<h2><a class="anchor" id="restrictions">
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restrictions</a></h2>
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<p>Must be used with the hardy/field type of AtC fix ( 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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</p>
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<h2><a class="anchor" id="related">
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related</a></h2>
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<p>See manual page for compute </p>
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<h2><a class="anchor" id="default">
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default</a></h2>
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<p>No defaults exist for this command </p>
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<hr size="1"/><address style="text-align: right;"><small>Generated on 21 Aug 2013 for ATC by
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<img class="footer" src="doxygen.png" alt="doxygen"/></a> 1.6.1 </small></address>
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