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<div class="section" id="compute-contact-atom-command">
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<span id="index-0"></span><h1>compute contact/atom command<a class="headerlink" href="#compute-contact-atom-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 contact/atom
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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>contact/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<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 contact/atom
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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 number of contacts
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for each atom in a group.</p>
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<p>The contact number is defined for finite-size spherical particles as
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the number of neighbor atoms which overlap the central particle,
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meaning that their distance of separation is less than or equal to the
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sum of the radii of the two particles.</p>
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<p>The value of the contact number will be 0.0 for atoms not in the
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specified compute group.</p>
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<p><strong>Output info:</strong></p>
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<p>This compute calculates a per-atom vector, whose values can be
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accessed by any command that uses per-atom values from a compute as
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input. See <a class="reference internal" href="Section_howto.html#howto-15"><span>Section_howto 15</span></a> for an
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overview of LAMMPS output options.</p>
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<p>The per-atom vector values will be a number >= 0.0, as explained
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above.</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 requires that atoms store a radius as defined by the
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<a class="reference internal" href="atom_style.html"><em>atom_style sphere</em></a> command.</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><a class="reference internal" href="compute_coord_atom.html"><em>compute coord/atom</em></a></p>
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<p><strong>Default:</strong> none</p>
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