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<li class="breadcrumb-item active"><span class="section-number">8.3.4. </span>Calculate temperature</li>
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<p><span class="math notranslate nohighlight">\(\renewcommand{\AA}{\text{Å}}\)</span></p>
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<section id="calculate-temperature">
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<h1><span class="section-number">8.3.4. </span>Calculate temperature<a class="headerlink" href="#calculate-temperature" title="Link to this heading"></a></h1>
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<p>Temperature is computed as kinetic energy divided by some number of
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degrees of freedom (and the Boltzmann constant). Since kinetic energy
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is a function of particle velocity, there is often a need to
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distinguish between a particle’s advection velocity (due to some
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aggregate motion of particles) and its thermal velocity. The sum of
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the two is the particle’s total velocity, but the latter is often what
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is wanted to compute a temperature.</p>
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<p>LAMMPS has several options for computing temperatures, any of which
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can be used in <a class="reference internal" href="Howto_thermostat.html"><span class="doc">thermostatting</span></a> and
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<a class="reference internal" href="Howto_barostat.html"><span class="doc">barostatting</span></a>. These <a class="reference internal" href="compute.html"><span class="doc">compute commands</span></a> calculate temperature:</p>
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<ul class="simple">
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<li><p><a class="reference internal" href="compute_temp.html"><span class="doc">compute temp</span></a></p></li>
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<li><p><a class="reference internal" href="compute_temp_sphere.html"><span class="doc">compute temp/sphere</span></a></p></li>
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<li><p><a class="reference internal" href="compute_temp_asphere.html"><span class="doc">compute temp/asphere</span></a></p></li>
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<li><p><a class="reference internal" href="compute_temp_com.html"><span class="doc">compute temp/com</span></a></p></li>
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<li><p><a class="reference internal" href="compute_temp_deform.html"><span class="doc">compute temp/deform</span></a></p></li>
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<li><p><a class="reference internal" href="compute_temp_partial.html"><span class="doc">compute temp/partial</span></a></p></li>
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<li><p><a class="reference internal" href="compute_temp_profile.html"><span class="doc">compute temp/profile</span></a></p></li>
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<li><p><a class="reference internal" href="compute_temp_ramp.html"><span class="doc">compute temp/ramp</span></a></p></li>
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<li><p><a class="reference internal" href="compute_temp_region.html"><span class="doc">compute temp/region</span></a></p></li>
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</ul>
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<p>All but the first 3 calculate velocity biases directly (e.g. advection
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velocities) that are removed when computing the thermal temperature.
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<a class="reference internal" href="compute_temp_sphere.html"><span class="doc">Compute temp/sphere</span></a> and <a class="reference internal" href="compute_temp_asphere.html"><span class="doc">compute temp/asphere</span></a> compute kinetic energy for
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finite-size particles that includes rotational degrees of freedom.
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They both allow for velocity biases indirectly, via an optional extra
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argument which is another temperature compute that subtracts a
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velocity bias. This allows the translational velocity of spherical or
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aspherical particles to be adjusted in prescribed ways.</p>
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