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<li>compute temp/region/eff command</li>
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<div class="section" id="compute-temp-region-eff-command">
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<span id="index-0"></span><h1>compute temp/region/eff command</h1>
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<div class="section" id="syntax">
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<h2>Syntax</h2>
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<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">temp</span><span class="o">/</span><span class="n">region</span><span class="o">/</span><span class="n">eff</span> <span class="n">region</span><span class="o">-</span><span class="n">ID</span>
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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"><span class="doc">compute</span></a> command</li>
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<li>temp/region/eff = style name of this compute command</li>
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<li>region-ID = ID of region to use for choosing atoms</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</h2>
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<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">mine</span> <span class="n">flow</span> <span class="n">temp</span><span class="o">/</span><span class="n">region</span><span class="o">/</span><span class="n">eff</span> <span class="n">boundary</span>
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</pre></div>
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</div>
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<div class="section" id="description">
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<h2>Description</h2>
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<p>Define a computation that calculates the temperature of a group of
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nuclei and electrons in the <a class="reference internal" href="pair_eff.html"><span class="doc">electron force field</span></a>
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model, within a geometric region using the electron force field. A
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compute of this style can be used by commands that compute a
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temperature, e.g. <a class="reference internal" href="thermo_modify.html"><span class="doc">thermo_modify</span></a>.</p>
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<p>The operation of this compute is exactly like that described by the
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<a class="reference internal" href="compute_temp_region.html"><span class="doc">compute temp/region</span></a> command, except that
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the formula for the temperature itself includes the radial electron
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velocity contributions, as discussed by the <a class="reference internal" href="compute_temp_eff.html"><span class="doc">compute temp/eff</span></a> command.</p>
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<p><strong>Output info:</strong></p>
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<p>This compute calculates a global scalar (the temperature) and a global
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vector of length 6 (KE tensor), which can be accessed by indices 1-6.
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These values can be used by any command that uses global scalar or
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vector values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">this section</span></a> for an overview of LAMMPS output
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options.</p>
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<p>The scalar value calculated by this compute is “intensive”. The
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vector values are “extensive”.</p>
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<p>The scalar value will be in temperature <a class="reference internal" href="units.html"><span class="doc">units</span></a>. The
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vector values will be in energy <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
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</div>
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<div class="section" id="restrictions">
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<h2>Restrictions</h2>
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<p>This compute is part of the USER-EFF 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 class="std std-ref">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</h2>
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<p><a class="reference internal" href="compute_temp_region.html"><span class="doc">compute temp/region</span></a>, <a class="reference internal" href="compute_temp_eff.html"><span class="doc">compute temp/eff</span></a>, <a class="reference internal" href="compute_pressure.html"><span class="doc">compute pressure</span></a></p>
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<p><strong>Default:</strong> none</p>
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