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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14349 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-12-10 17:23:56 +00:00
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doc/fix_wall.html
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>fix wall/lj93 command &mdash; LAMMPS 15 May 2015 version documentation</title>
<title>fix wall/lj93 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>
@ -272,15 +272,15 @@ Equal-style variables can specify formulas with various mathematical
functions, and include <a class="reference internal" href="thermo_style.html"><em>thermo_style</em></a> command
keywords for the simulation box parameters and timestep and elapsed
time. Thus it is easy to specify a time-dependent wall interaction.</p>
<div class="admonition warning">
<p class="first admonition-title">Warning</p>
<p class="last">For all of the styles, you must insure that r is
always &gt; 0 for all particles in the group, or LAMMPS will generate an
error. This means you cannot start your simulation with particles at
the wall position <em>coord</em> (r = 0) or with particles on the wrong side
of the wall (r &lt; 0). For the <em>wall/lj93</em> and <em>wall/lj126</em> styles, the
energy of the wall/particle interaction (and hence the force on the
particle) blows up as r -&gt; 0. The <em>wall/colloid</em> style is even more
<div class="admonition note">
<p class="first admonition-title">Note</p>
<p class="last">For all of the styles, you must insure that r is always &gt; 0 for
all particles in the group, or LAMMPS will generate an error. This
means you cannot start your simulation with particles at the wall
position <em>coord</em> (r = 0) or with particles on the wrong side of the
wall (r &lt; 0). For the <em>wall/lj93</em> and <em>wall/lj126</em> styles, the energy
of the wall/particle interaction (and hence the force on the particle)
blows up as r -&gt; 0. The <em>wall/colloid</em> style is even more
restrictive, since the energy blows up as D = r-R -&gt; 0. This means
the finite-size particles of radius R must be a distance larger than R
from the wall position <em>coord</em>. The <em>harmonic</em> style is a softer
@ -375,12 +375,12 @@ The scalar and vector values calculated by this fix are &#8220;extensive&#8221;.
the <a class="reference internal" href="run.html"><em>run</em></a> command.</p>
<p>The forces due to this fix are imposed during an energy minimization,
invoked by the <a class="reference internal" href="minimize.html"><em>minimize</em></a> command.</p>
<div class="admonition warning">
<p class="first admonition-title">Warning</p>
<p class="last">If you want the atom/wall interaction energy to be
included in the total potential energy of the system (the quantity
being minimized), you MUST enable the <a class="reference internal" href="fix_modify.html"><em>fix_modify</em></a>
<em>energy</em> option for this fix.</p>
<div class="admonition note">
<p class="first admonition-title">Note</p>
<p class="last">If you want the atom/wall interaction energy to be included in
the total potential energy of the system (the quantity being
minimized), you MUST enable the <a class="reference internal" href="fix_modify.html"><em>fix_modify</em></a> <em>energy</em>
option for this fix.</p>
</div>
</div>
<div class="section" id="restrictions">
@ -413,7 +413,7 @@ erratum in JCP 84, 2901 (1986).</p>
<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>.
@ -434,7 +434,7 @@ erratum in JCP 84, 2901 (1986).</p>
<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