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<title>compute smd/tlsph_shape command &mdash; LAMMPS 15 May 2015 version documentation</title>
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<div class="section" id="compute-smd-tlsph-shape-command">
<span id="index-0"></span><h1>compute smd/tlsph_shape command<a class="headerlink" href="#compute-smd-tlsph-shape-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 smd/tlsph_shape
</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>smd/tlsph_shape = 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 smd/tlsph_shape
</pre></div>
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<div class="section" id="description">
<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline"></a></h2>
<p>Define a computation that outputs the current shape of the volume associated with a particle as a rotated ellipsoid.
It is only meaningful for particles which interact according to the Total-Lagrangian SPH pair style.</p>
<p>See <a class="reference external" href="USER/smd/SMD_LAMMPS_userguide.pdf">this PDF guide</a> to use Smooth Mach Dynamics in LAMMPS.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a per-particle vector of vectors, which can be
accessed by any command that uses per-particle values from a compute as input. See
<a class="reference internal" href="Section_howto.html#howto-15"><span>How-to discussions, section 6.15</span></a>
for an overview of LAMMPS output options.</p>
<p>The per-particle vector has 7 entries. The first three entries correspond to the lengths of the ellipsoid&#8217;s axes and have units of length.
These axis valus are computed as the contact radius times the xx, yy, or zz components of the Green-Lagrange strain tensor associated with the particle.
The next 4 values are quaternions (order: q, x, y, z) which describe the spatial rotation of the particle relative to its initial state.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline"></a></h2>
<p>This compute is part of the USER-SMD 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>Making LAMMPS</span></a>
section for more info.</p>
<p>This quantity will be computed only for particles which interact with the Total-Lagrangian SPH pair style.</p>
</div>
<div class="section" id="related-commands">
<h2>Related commands<a class="headerlink" href="#related-commands" title="Permalink to this headline"></a></h2>
<p><a class="reference internal" href="compute_smd_contact_radius.html"><em>smd/contact_radius</em></a></p>
<p><strong>Default:</strong> none</p>
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