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<div class="section" id="compute-temp-region-eff-command">
<span id="index-0"></span><h1>compute temp/region/eff command</h1>
<div class="section" id="syntax">
<h2>Syntax</h2>
<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>
</pre></div>
</div>
<ul class="simple">
<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</li>
<li>temp/region/eff = style name of this compute command</li>
<li>region-ID = ID of region to use for choosing atoms</li>
</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
<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>
</pre></div>
</div>
</div>
<div class="section" id="description">
<h2>Description</h2>
<p>Define a computation that calculates the temperature of a group of
nuclei and electrons in the <a class="reference internal" href="pair_eff.html"><span class="doc">electron force field</span></a>
model, within a geometric region using the electron force field. A
compute of this style can be used by commands that compute a
temperature, e.g. <a class="reference internal" href="thermo_modify.html"><span class="doc">thermo_modify</span></a>.</p>
<p>The operation of this compute is exactly like that described by the
<a class="reference internal" href="compute_temp_region.html"><span class="doc">compute temp/region</span></a> command, except that
the formula for the temperature itself includes the radial electron
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>
<p><strong>Output info:</strong></p>
<p>This compute calculates a global scalar (the temperature) and a global
vector of length 6 (KE tensor), which can be accessed by indices 1-6.
These values can be used by any command that uses global scalar or
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
options.</p>
<p>The scalar value calculated by this compute is &#8220;intensive&#8221;. The
vector values are &#8220;extensive&#8221;.</p>
<p>The scalar value will be in temperature <a class="reference internal" href="units.html"><span class="doc">units</span></a>. The
vector values will be in energy <a class="reference internal" href="units.html"><span class="doc">units</span></a>.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions</h2>
<p>This compute is part of the USER-EFF 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 class="std std-ref">Making LAMMPS</span></a> section for more info.</p>
</div>
<div class="section" id="related-commands">
<h2>Related commands</h2>
<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>
<p><strong>Default:</strong> none</p>
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