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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15293 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-07-12 23:19:38 +00:00
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12
doc/html/compute_modify.html
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@ -141,8 +141,6 @@
N = # of extra degrees of freedom to subtract
<em>dynamic</em> value = <em>yes</em> or <em>no</em>
yes/no = do or do not recompute the number of atoms contributing to the temperature
<em>thermo</em> value = <em>yes</em> or <em>no</em>
yes/no = do or do not add contributions from fixes to the potential energy
</pre>
</div>
<div class="section" id="examples">
@ -169,16 +167,11 @@ the <em>extra</em> parameter if you need to add degrees-of-freedom.</p>
<p>for an example.</p>
<p>The <em>dynamic</em> keyword determines whether the number of atoms N in the
compute group is re-computed each time a temperature is computed.
Only compute styles that compute a temperature use this option. By
Only compute styles that calculate a temperature use this option. By
default, N is assumed to be constant. If you are adding atoms to the
system (see the <a class="reference internal" href="fix_pour.html"><span class="doc">fix pour</span></a> or <a class="reference internal" href="fix_deposit.html"><span class="doc">fix deposit</span></a> commands) or expect atoms to be lost
(e.g. due to evaporation), then this option should be used to insure
the temperature is correctly normalized.</p>
<p>The <em>thermo</em> keyword determines whether the potential energy
contribution calculated by some <a class="reference internal" href="fix.html"><span class="doc">fixes</span></a> is added to the
potential energy calculated by the compute. Currently, only the
compute of style <em>pe</em> uses this option. See the doc pages for
<a class="reference internal" href="fix.html"><span class="doc">individual fixes</span></a> for details.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions</h2>
@ -192,8 +185,7 @@ compute of style <em>pe</em> uses this option. See the doc pages for
<div class="section" id="default">
<h2>Default</h2>
<p>The option defaults are extra = 2 or 3 for 2d or 3d systems and
dynamic = no. Thermo is <em>yes</em> if the compute of style <em>pe</em> was
defined with no extra keywords; otherwise it is <em>no</em>.</p>
dynamic = no.</p>
</div>
</div>