<spanid="index-0"></span><h1>compute temp/deform command<aclass="headerlink"href="#compute-temp-deform-command"title="Permalink to this headline">¶</a></h1>
<divclass="section"id="syntax">
<h2>Syntax<aclass="headerlink"href="#syntax"title="Permalink to this headline">¶</a></h2>
<divclass="highlight-python"><divclass="highlight"><pre>compute ID group-ID temp/deform
</pre></div>
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<ulclass="simple">
<li>ID, group-ID are documented in <aclass="reference internal"href="compute.html"><em>compute</em></a> command</li>
<li>temp/deform = style name of this compute command</li>
</ul>
</div>
<divclass="section"id="examples">
<h2>Examples<aclass="headerlink"href="#examples"title="Permalink to this headline">¶</a></h2>
<divclass="highlight-python"><divclass="highlight"><pre>compute myTemp all temp/deform
</pre></div>
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</div>
<divclass="section"id="description">
<h2>Description<aclass="headerlink"href="#description"title="Permalink to this headline">¶</a></h2>
<p>Define a computation that calculates the temperature of a group of
<pclass="last"><aclass="reference internal"href="fix_deform.html"><em>Fix deform</em></a> has an option for remapping either
atom coordinates or velocities to the changing simulation box. When
using this compute in conjunction with a deforming box, fix deform
should NOT remap atom positions, but rather should let atoms respond
to the changing box by adjusting their own velocities (or let <aclass="reference internal"href="fix_deform.html"><em>fix deform</em></a> remap the atom velocities, see it’s remap
option). If fix deform does remap atom positions, then they appear to
move with the box but their velocity is not changed, and thus they do
NOT have the streaming velocity assumed by this compute. LAMMPS will
warn you if fix deform is defined and its remap setting is not
fixes that work in this way include <aclass="reference internal"href="fix_nh.html"><em>fix nvt</em></a>, <aclass="reference internal"href="fix_temp_rescale.html"><em>fix temp/rescale</em></a>, <aclass="reference internal"href="fix_temp_berendsen.html"><em>fix temp/berendsen</em></a>, and <aclass="reference internal"href="fix_langevin.html"><em>fix langevin</em></a>.</p>
velocity profile, e.g. via the <aclass="reference internal"href="fix_ave_spatial.html"><em>fix ave/spatial</em></a>
command. And you can compare the results of this compute to <aclass="reference internal"href="compute_temp_profile.html"><em>compute temp/profile</em></a>, which actually calculates the
consistent with the box deformation. See the <aclass="reference internal"href="fix_deform.html"><em>fix deform</em></a> command for more details on ways to get atoms
to stream consistently with the box deformation.</p>
</div>
<p>This compute subtracts out degrees-of-freedom due to fixes that
constrain molecular motion, such as <aclass="reference internal"href="fix_shake.html"><em>fix shake</em></a> and
<aclass="reference internal"href="fix_rigid.html"><em>fix rigid</em></a>. This means the temperature of groups of
vector values from a compute as input. See <aclass="reference internal"href="Section_howto.html#howto-15"><span>this section</span></a> for an overview of LAMMPS output
options.</p>
<p>The scalar value calculated by this compute is “intensive”. The
vector values are “extensive”.</p>
<p>The scalar value will be in temperature <aclass="reference internal"href="units.html"><em>units</em></a>. The
vector values will be in energy <aclass="reference internal"href="units.html"><em>units</em></a>.</p>
</div>
<divclass="section"id="restrictions">
<h2>Restrictions<aclass="headerlink"href="#restrictions"title="Permalink to this headline">¶</a></h2>
<blockquote>
<div>none</div></blockquote>
</div>
<divclass="section"id="related-commands">
<h2>Related commands<aclass="headerlink"href="#related-commands"title="Permalink to this headline">¶</a></h2>
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