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<div class="section" id="compute-erotate-asphere-command">
<span id="index-0"></span><h1>compute erotate/asphere 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">erotate</span><span class="o">/</span><span class="n">asphere</span>
</pre></div>
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<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>erotate/asphere = style name of this compute command</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">erotate</span><span class="o">/</span><span class="n">asphere</span>
</pre></div>
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<div class="section" id="description">
<h2>Description</h2>
<p>Define a computation that calculates the rotational kinetic energy of
a group of aspherical particles. The aspherical particles can be
ellipsoids, or line segments, or triangles. See the
<a class="reference internal" href="atom_style.html"><span class="doc">atom_style</span></a> and <a class="reference internal" href="read_data.html"><span class="doc">read_data</span></a> commands
for descriptions of these options.</p>
<p>For all 3 types of particles, the rotational kinetic energy is
computed as 1/2 I w^2, where I is the inertia tensor for the
aspherical particle and w is its angular velocity, which is computed
from its angular momentum if needed.</p>
<div class="admonition note">
<p class="first admonition-title">Note</p>
<p class="last">For <a class="reference internal" href="dimension.html"><span class="doc">2d models</span></a>, ellipsoidal particles are
treated as ellipsoids, not ellipses, meaning their moments of inertia
will be the same as in 3d.</p>
</div>
<p><strong>Output info:</strong></p>
<p>This compute calculates a global scalar (the KE). 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 requires that ellipsoidal particles atoms store a shape
and quaternion orientation and angular momentum as defined by the
<a class="reference internal" href="atom_style.html"><span class="doc">atom_style ellipsoid</span></a> command.</p>
<p>This compute requires that line segment particles atoms store a length
and orientation and angular velocity as defined by the <a class="reference internal" href="atom_style.html"><span class="doc">atom_style line</span></a> command.</p>
<p>This compute requires that triangular particles atoms store a size and
shape and quaternion orientation and angular momentum as defined by
the <a class="reference internal" href="atom_style.html"><span class="doc">atom_style tri</span></a> command.</p>
<p>All particles in the group must be finite-size. They cannot be point
particles.</p>
<p><strong>Related commands:</strong> none</p>
<p><a class="reference internal" href="compute_erotate_sphere.html"><span class="doc">compute erotate/sphere</span></a></p>
<p><strong>Default:</strong> none</p>
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