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<div class="section" id="compute-erotate-asphere-command">
<span id="index-0"></span><h1>compute erotate/asphere command<a class="headerlink" href="#compute-erotate-asphere-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 erotate/asphere
</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>erotate/asphere = 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 erotate/asphere
</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 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"><em>atom_style</em></a> and <a class="reference internal" href="read_data.html"><em>read_data</em></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"><em>2d models</em></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>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"><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>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"><em>atom_style ellipsoid</em></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"><em>atom_style line</em></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"><em>atom_style tri</em></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"><em>compute erotate/sphere</em></a></p>
<p><strong>Default:</strong> none</p>
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