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doc/thermo_modify.html
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>thermo_modify command &mdash; LAMMPS 15 May 2015 version documentation</title>
<title>thermo_modify 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>
@ -160,13 +160,13 @@ thermo_modify line multi format float %g
<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline"></a></h2>
<p>Set options for how thermodynamic information is computed and printed
by LAMMPS.</p>
<div class="admonition warning">
<p class="first admonition-title">Warning</p>
<p class="last">These options apply to the currently defined thermo
style. When you specify a <a class="reference internal" href="thermo_style.html"><em>thermo_style</em></a> command,
all thermodynamic settings are restored to their default values,
including those previously reset by a thermo_modify command. Thus if
your input script specifies a thermo_style command, you should use the
<div class="admonition note">
<p class="first admonition-title">Note</p>
<p class="last">These options apply to the currently defined thermo style. When
you specify a <a class="reference internal" href="thermo_style.html"><em>thermo_style</em></a> command, all
thermodynamic settings are restored to their default values, including
those previously reset by a thermo_modify command. Thus if your input
script specifies a thermo_style command, you should use the
thermo_modify command after it.</p>
</div>
<p>The <em>lost</em> keyword determines whether LAMMPS checks for lost atoms
@ -226,8 +226,8 @@ numeric value M (e.g. format 5 %10.4g) sets the format of the Mth
value printed in each output line, e.g. the 5th column of output in
this case. If the format for a specific column has been set, it will
take precedent over the <em>int</em> or <em>float</em> setting.</p>
<div class="admonition warning">
<p class="first admonition-title">Warning</p>
<div class="admonition note">
<p class="first admonition-title">Note</p>
<p class="last">The thermo output values <em>step</em> and <em>atoms</em> are stored
internally as 8-byte signed integers, rather than the usual 4-byte
signed integers. When specifying the &#8220;format int&#8221; keyword you can use
@ -255,18 +255,17 @@ calculates a pressure. As described in the
<a class="reference internal" href="thermo_style.html"><em>thermo_style</em></a> command, thermo output uses a default
compute for pressure with ID = <em>thermo_press</em>. This option allows the
user to override the default.</p>
<div class="admonition warning">
<p class="first admonition-title">Warning</p>
<p class="last">If both the <em>temp</em> and <em>press</em> keywords are used in a
single thermo_modify command (or in two separate commands), then the
order in which the keywords are specified is important. Note that a
<a class="reference internal" href="compute_pressure.html"><em>pressure compute</em></a> defines its own temperature
compute as an argument when it is specified. The <em>temp</em> keyword will
override this (for the pressure compute being used by thermodynamics),
but only if the <em>temp</em> keyword comes after the <em>press</em> keyword. If
the <em>temp</em> keyword comes before the <em>press</em> keyword, then the new
pressure compute specified by the <em>press</em> keyword will be unaffected
by the <em>temp</em> setting.</p>
<div class="admonition note">
<p class="first admonition-title">Note</p>
<p class="last">If both the <em>temp</em> and <em>press</em> keywords are used in a single
thermo_modify command (or in two separate commands), then the order in
which the keywords are specified is important. Note that a <a class="reference internal" href="compute_pressure.html"><em>pressure compute</em></a> defines its own temperature compute as
an argument when it is specified. The <em>temp</em> keyword will override
this (for the pressure compute being used by thermodynamics), but only
if the <em>temp</em> keyword comes after the <em>press</em> keyword. If the <em>temp</em>
keyword comes before the <em>press</em> keyword, then the new pressure
compute specified by the <em>press</em> keyword will be unaffected by the
<em>temp</em> setting.</p>
</div>
</div>
<div class="section" id="restrictions">
@ -300,7 +299,7 @@ format defaults are &#8220;multi&#8221;, &#8220;%8d&#8221;, and &#8220;%14.4f&#8
<div role="contentinfo">
<p>
&copy; Copyright .
&copy; Copyright 2013 Sandia Corporation.
</p>
</div>
Built with <a href="http://sphinx-doc.org/">Sphinx</a> using a <a href="https://github.com/snide/sphinx_rtd_theme">theme</a> provided by <a href="https://readthedocs.org">Read the Docs</a>.
@ -321,7 +320,7 @@ format defaults are &#8220;multi&#8221;, &#8220;%8d&#8221;, and &#8220;%14.4f&#8
<script type="text/javascript">
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
VERSION:'15 May 2015 version',
VERSION:'10 Dec 2015 version',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true