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2015-12-10 17:23:56 +00:00
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doc/compute_ke_atom_eff.html
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute ke/atom/eff command &mdash; LAMMPS 15 May 2015 version documentation</title>
<title>compute ke/atom/eff command &mdash; LAMMPS 10 Dec 2015 version documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 May 2015 version documentation" href="index.html"/>
<link rel="top" title="LAMMPS 10 Dec 2015 version documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script>
@ -162,13 +162,11 @@ calculated by the simple formula above. For thermodynamic output, the
<em>ke</em> keyword infers kinetic energy from the temperature of the system
with 1/2 Kb T of energy for each (nuclear-only) degree of freedom in
eFF.</p>
<div class="admonition warning">
<p class="first admonition-title">Warning</p>
<p class="last">The temperature in eFF should be monitored via the
<a class="reference internal" href="compute_temp_eff.html"><em>compute temp/eff</em></a> command, which can be printed
with thermodynamic output by using the
<a class="reference internal" href="thermo_modify.html"><em>thermo_modify</em></a> command, as shown in the following
example:</p>
<div class="admonition note">
<p class="first admonition-title">Note</p>
<p class="last">The temperature in eFF should be monitored via the <a class="reference internal" href="compute_temp_eff.html"><em>compute temp/eff</em></a> command, which can be printed with
thermodynamic output by using the <a class="reference internal" href="thermo_modify.html"><em>thermo_modify</em></a>
command, as shown in the following example:</p>
</div>
<div class="highlight-python"><div class="highlight"><pre>compute effTemp all temp/eff
thermo_style custom step etotal pe ke temp press
@ -206,7 +204,7 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
<div role="contentinfo">
<p>
&copy; Copyright .
&copy; Copyright 2013 Sandia Corporation.
</p>
</div>
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@ -227,7 +225,7 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
<script type="text/javascript">
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VERSION:'15 May 2015 version',
VERSION:'10 Dec 2015 version',
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