lammps/doc/html/compute_ke_rigid.html

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<div class="section" id="compute-ke-rigid-command">
<span id="index-0"></span><h1>compute ke/rigid command</h1>
<div class="section" id="syntax">
<h2>Syntax</h2>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">ke</span><span class="o">/</span><span class="n">rigid</span> <span class="n">fix</span><span class="o">-</span><span class="n">ID</span>
</pre></div>
</div>
<ul class="simple">
<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
<li>ke = style name of this compute command</li>
<li>fix-ID = ID of rigid body fix</li>
</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="mi">1</span> <span class="nb">all</span> <span class="n">ke</span><span class="o">/</span><span class="n">rigid</span> <span class="n">myRigid</span>
</pre></div>
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</div>
<div class="section" id="description">
<h2>Description</h2>
<p>Define a computation that calculates the translational kinetic energy
of a collection of rigid bodies, as defined by one of the <a class="reference internal" href="fix_rigid.html"><span class="doc">fix rigid</span></a> command variants.</p>
<p>The kinetic energy of each rigid body is computed as 1/2 M Vcm^2,
where M is the total mass of the rigid body, and Vcm is its
center-of-mass velocity.</p>
<p>The <em>fix-ID</em> should be the ID of one of the <a class="reference internal" href="fix_rigid.html"><span class="doc">fix rigid</span></a>
commands which defines the rigid bodies. The group specified in the
compute command is ignored. The kinetic energy of all the rigid
bodies defined by the fix rigid command in included in the
calculation.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a global scalar (the summed KE of all the
rigid bodies). This value can be used by any command that uses a
global scalar value from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">Section_howto 15</span></a> for an overview of LAMMPS output
options.</p>
<p>The scalar value calculated by this compute is &#8220;extensive&#8221;. The
scalar value will be in energy <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions</h2>
<p>This compute is part of the RIGID 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 class="std std-ref">Making LAMMPS</span></a> section for more info.</p>
</div>
<div class="section" id="related-commands">
<h2>Related commands</h2>
<p><a class="reference internal" href="compute_erotate_rigid.html"><span class="doc">compute erotate/rigid</span></a></p>
<p><strong>Default:</strong> none</p>
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