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<title>compute erotate/rigid command — LAMMPS 15 May 2015 version documentation</title>
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<li>compute erotate/rigid command</li>
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<div class="section" id="compute-erotate-rigid-command">
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<span id="index-0"></span><h1>compute erotate/rigid command<a class="headerlink" href="#compute-erotate-rigid-command" title="Permalink to this headline">¶</a></h1>
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<div class="section" id="syntax">
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<h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline">¶</a></h2>
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<div class="highlight-python"><div class="highlight"><pre>compute ID group-ID erotate/rigid fix-ID
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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"><em>compute</em></a> command</li>
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<li>erotate/rigid = style name of this compute command</li>
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<li>fix-ID = ID of rigid body fix</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<a class="headerlink" href="#examples" title="Permalink to this headline">¶</a></h2>
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<div class="highlight-python"><div class="highlight"><pre>compute 1 all erotate/rigid myRigid
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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<a class="headerlink" href="#description" title="Permalink to this headline">¶</a></h2>
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<p>Define a computation that calculates the rotational kinetic energy of
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a collection of rigid bodies, as defined by one of the <a class="reference internal" href="fix_rigid.html"><em>fix rigid</em></a> command variants.</p>
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<p>The rotational energy of each rigid body is computed as 1/2 I Wbody^2,
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where I is the inertia tensor for the rigid body, and Wbody is its
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angular velocity vector. Both I and Wbody are in the frame of
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reference of the rigid body, i.e. I is diagonalized.</p>
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<p>The <em>fix-ID</em> should be the ID of one of the <a class="reference internal" href="fix_rigid.html"><em>fix rigid</em></a>
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commands which defines the rigid bodies. The group specified in the
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compute command is ignored. The rotational energy of all the rigid
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bodies defined by the fix rigid command in included in the
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calculation.</p>
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<p><strong>Output info:</strong></p>
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<p>This compute calculates a global scalar (the summed rotational energy
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of all the rigid bodies). This value can be used by any command that
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uses a global scalar value from a compute as input. See
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<a class="reference internal" href="Section_howto.html#howto-15"><span>Section_howto 15</span></a> for an overview of
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LAMMPS output options.</p>
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<p>The scalar value calculated by this compute is “extensive”. The
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scalar value will be in energy <a class="reference internal" href="units.html"><em>units</em></a>.</p>
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</div>
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<div class="section" id="restrictions">
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<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline">¶</a></h2>
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<p>This compute is part of the RIGID package. It is only enabled if
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LAMMPS was built with that package. See the <a class="reference internal" href="Section_start.html#start-3"><span>Making LAMMPS</span></a> section for more info.</p>
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</div>
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<div class="section" id="related-commands">
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<h2>Related commands<a class="headerlink" href="#related-commands" title="Permalink to this headline">¶</a></h2>
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<p><code class="xref doc docutils literal"><span class="pre">compute</span> <span class="pre">ke/rigid</span></code></p>
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<p><strong>Default:</strong> none</p>
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