models in LAMMPS are described in <a class="reference internal" href="Section_howto.html#howto-25"><span class="std std-ref">this Section</span></a>.</p>
<p>Drude oscillators consist of a core particle and a Drude particle
connected by a harmonic bond, and the relative motion of these Drude
oscillators is usually maintained cold by a specific thermostat that
acts on the relative motion of the core-Drude particle
pairs. Therefore, because LAMMPS considers Drude particles as normal
atoms in its default temperature compute (<a class="reference internal" href="compute_temp.html"><span class="doc">compute temp</span></a> command), the reduced temperature of the
core-Drude particle pairs is not calculated correctly.</p>
<p>By contrast, this compute calculates the temperature of the cores
using center-of-mass velocities of the core-Drude pairs, and the
reduced temperature of the Drude particles using the relative
velocities of the Drude particles with respect to their cores.
Non-polarizable atoms are considered as cores. Their velocities
contribute to the temperature of the cores.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a global scalar (the temperature) and a global
vector of length 6, which can be accessed by indices 1-6, whose components
are</p>
<ol class="arabic simple">
<li>temperature of the centers of mass (temperature units)</li>
<li>temperature of the dipoles (temperature units)</li>
<li>number of degrees of freedom of the centers of mass</li>
<li>number of degrees of freedom of the dipoles</li>
<li>kinetic energy of the centers of mass (energy units)</li>
<li>kinetic energy of the dipoles (energy units)</li>
</ol>
<p>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>Both the scalar value and the first two values of the vector
calculated by this compute are “intensive”. The other 4 vector values
are “extensive”.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions</h2>
<p>The number of degrees of freedom contributing to the temperature is
assumed to be constant for the duration of the run unless the
<em>fix_modify</em> command sets the option <em>dynamic yes</em>.</p>
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