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'' git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13800 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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<div class="section" id="compute-damage-atom-command">
<span id="index-0"></span><h1>compute damage/atom command<a class="headerlink" href="#compute-damage-atom-command" title="Permalink to this headline"></a></h1>
<div class="section" id="syntax">
<h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline"></a></h2>
<div class="highlight-python"><div class="highlight"><pre>compute ID group-ID damage/atom
</pre></div>
</div>
<ul class="simple">
<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><em>compute</em></a> command</li>
<li>damage/atom = style name of this compute command</li>
</ul>
</div>
<div class="section" id="examples">
<h2>Examples<a class="headerlink" href="#examples" title="Permalink to this headline"></a></h2>
<div class="highlight-python"><div class="highlight"><pre>compute 1 all damage/atom
</pre></div>
</div>
</div>
<div class="section" id="description">
<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline"></a></h2>
<p>Define a computation that calculates the per-atom damage for each atom
in a group. This is a quantity relevant for <a class="reference internal" href="pair_peri.html"><em>Peridynamics models</em></a>. See <a class="reference external" href="PDF/PDLammps_overview.pdf">this document</a>
for an overview of LAMMPS commands for Peridynamics modeling.</p>
<p>The &#8220;damage&#8221; of a Peridymaics particles is based on the bond breakage
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between the particle and its neighbors. If all the bonds are broken
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the particle is considered to be fully damaged.</p>
<p>See the <a class="reference external" href="http://www.sandia.gov/~mlparks/papers/PDLAMMPS.pdf">PDLAMMPS user guide</a> for a formal
definition of &#8220;damage&#8221; and more details about Peridynamics as it is
implemented in LAMMPS.</p>
<p>This command can be used with all the Peridynamic pair styles.</p>
<p>The damage value will be 0.0 for atoms not in the specified compute
group.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-atom vector, which can be accessed by
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any command that uses per-atom values from a compute as input. See
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<a class="reference internal" href="Section_howto.html#howto-15"><span>Section_howto 15</span></a> for an overview of
LAMMPS output options.</p>
<p>The per-atom vector values are unitlesss numbers (damage) &gt;= 0.0.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline"></a></h2>
<p>This compute is part of the PERI package. It is only enabled if
LAMMPS was built with that package. See the <a class="reference internal" href="Section_start.html#start-3"><span>Making LAMMPS</span></a> section for more info.</p>
</div>
<div class="section" id="related-commands">
<h2>Related commands<a class="headerlink" href="#related-commands" title="Permalink to this headline"></a></h2>
<p><code class="xref doc docutils literal"><span class="pre">compute</span> <span class="pre">dilatation</span></code>, <code class="xref doc docutils literal"><span class="pre">compute</span> <span class="pre">plasticity</span></code></p>
<p><strong>Default:</strong> none</p>
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