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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14316 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-12-09 17:29:59 +00:00
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doc/pair_srp.html
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@ -137,6 +137,7 @@
<li>keyword = <em>exclude</em></li>
</ul>
<pre class="literal-block">
<em>bptype</em> value = atom type for bond particles
<em>exclude</em> value = <em>yes</em> or <em>no</em>
</pre>
</div>
@ -196,18 +197,23 @@ or <a class="reference internal" href="read_restart.html"><em>read_restart</em><
is used.</p>
<div class="admonition warning">
<p class="first admonition-title">Warning</p>
<p class="last">Pair style srp considers each bond of type <em>btype</em> to
be a fictitious &#8220;particle&#8221; of type <em>bptype</em>, where <em>bptype</em> is the
largest atom type in the system. There cannot be any actual particles
assigned to this atom type. This means you must specify the number of
types in your system to be one larger would normally be the case,
e.g. via the <a class="reference internal" href="create_box.html"><em>create_box</em></a> or
<a class="reference internal" href="read_data.html"><em>read_data</em></a> commands. These ficitious &#8220;bond particles&#8221;
are inserted at the beginning of the run, and serve as placeholders
that define the position of the bonds. This allows neighbor lists to
be constructed and pairwise interactions to be computed in almost the
same way as is done for actual particles. Because bonds interact only
with other bonds, <a class="reference internal" href="pair_hybrid.html"><em>pair_style hybrid</em></a> should be used
<p>Pair style srp considers each bond of type <em>btype</em> to
be a fictitious &#8220;particle&#8221; of type <em>bptype</em>, where <em>bptype</em> is either
the largest atom type in the system, or the type set by the <em>bptype</em>
flag. Any actual existing particles with this atom type will be deleted
at the beginning of a run. This means you must specify the number of
types in your system accordingly; usually to be one larger than what
would normally be the case, e.g. via the <a class="reference internal" href="create_box.html"><em>create_box</em></a>
or by changing the header in your <a class="reference internal" href="read_data.html"><em>data file</em></a>.
The ficitious &#8220;bond particles&#8221; are inserted at the beginning of the
run, and serve as placeholders that define the position of the bonds.</p>
<blockquote>
<div>This allows neighbor lists to be constructed and pairwise interactions</div></blockquote>
<dl class="docutils">
<dt>to be computed in almost the same way as is done for actual particles.</dt>
<dd>Because bonds interact only with other bonds,</dd>
</dl>
<p class="last"><a class="reference internal" href="pair_hybrid.html"><em>pair_style hybrid</em></a> should be used
to turn off interactions between atom type <em>bptype</em> and all other
types of atoms. An error will be flagged if <a class="reference internal" href="pair_hybrid.html"><em>pair_style hybrid</em></a> is not used.</p>
</div>