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<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
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<div class="section" id="compute-dpd-atom-command">
<span id="index-0"></span><h1>compute dpd/atom command<a class="headerlink" href="#compute-dpd-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 dpd/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>dpd/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>
<p>compute 1 all dpd/atom</p>
</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 accesses the per-particle internal
conductive energy (u_cond), internal mechanical energy (u_mech) and
internal temperatures (dpdTheta) for each particle in a group. See
the <a class="reference internal" href="compute_dpd.html"><em>compute dpd</em></a> command if you want the total
internal conductive energy, the total internal mechanical energy, and
average internal temperature of the entire system or group of dpd
particles.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-particle array with 3 columns (u_cond,
u_mech, dpdTheta), which can be accessed by indices 1-3 by any command
that uses per-particle values from a compute as input. See
<a class="reference internal" href="Section_howto.html#howto-15"><span>Section_howto15</span></a> for an overview of
LAMMPS output options.</p>
<p>The per-particle array values will be in energy (u_cond, u_mech) and
temperature (dpdTheta) <a class="reference internal" href="units.html"><em>units</em></a>.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline"></a></h2>
<p>The compute <em>dpd/atom</em> is only available if LAMMPS is built with the
USER-DPD package.</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><a class="reference internal" href="dump.html"><em>dump custom</em></a>, <a class="reference internal" href="compute_dpd.html"><em>compute dpd</em></a></p>
<p><strong>Default:</strong> none</p>
<hr class="docutils" />
<p id="larentzos"><strong>(Larentzos)</strong> J.P. Larentzos, J.K. Brennan, J.D. Moore, and
W.D. Mattson, &#8220;LAMMPS Implementation of Constant Energy Dissipative
Particle Dynamics (DPD-E)&#8221;, ARL-TR-6863, U.S. Army Research
Laboratory, Aberdeen Proving Ground, MD (2014).</p>
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