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<title>compute erotate/sphere/atom command — LAMMPS documentation</title>
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<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
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<li>compute erotate/sphere/atom command</li>
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<div class="section" id="compute-erotate-sphere-atom-command">
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<span id="index-0"></span><h1>compute erotate/sphere/atom command</h1>
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<div class="section" id="syntax">
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<h2>Syntax</h2>
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<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">erotate</span><span class="o">/</span><span class="n">sphere</span><span class="o">/</span><span class="n">atom</span>
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</pre></div>
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</div>
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<ul class="simple">
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<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
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<li>erotate/sphere/atom = style name of this compute command</li>
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</ul>
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</div>
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<div class="section" id="examples">
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<h2>Examples</h2>
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<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">erotate</span><span class="o">/</span><span class="n">sphere</span><span class="o">/</span><span class="n">atom</span>
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</pre></div>
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</div>
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</div>
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<div class="section" id="description">
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<h2>Description</h2>
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<p>Define a computation that calculates the rotational kinetic energy for
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each particle in a group.</p>
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<p>The rotational energy is computed as 1/2 I w^2, where I is the moment
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of inertia for a sphere and w is the particle’s angular velocity.</p>
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<div class="admonition note">
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<p class="first admonition-title">Note</p>
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<p class="last">For <a class="reference internal" href="dimension.html"><span class="doc">2d models</span></a>, particles are treated as
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spheres, not disks, meaning their moment of inertia will be the same
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as in 3d.</p>
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</div>
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<p>The value of the rotational kinetic energy will be 0.0 for atoms not
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in the specified compute group or for point particles with a radius =
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0.0.</p>
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<p><strong>Output info:</strong></p>
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<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 class="std std-ref">Section_howto 15</span></a> for an overview of
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LAMMPS output options.</p>
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<p>The per-atom vector values will be in energy <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
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</div>
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<div class="section" id="restrictions">
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<h2>Restrictions</h2>
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<blockquote>
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<div>none</div></blockquote>
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</div>
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<div class="section" id="related-commands">
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<h2>Related commands</h2>
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<p><a class="reference internal" href="dump.html"><span class="doc">dump custom</span></a></p>
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<p><strong>Default:</strong> none</p>
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