git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15202 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-06-17 23:24:05 +00:00
parent d89ee2a40d
commit b161fbb52a
60 changed files with 320 additions and 92 deletions

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@ -178,6 +178,9 @@ needed so that the <a class="reference internal" href="minimize.html"><span clas
forces added by this fix in a consistent manner. I.e. there is a
decrease in potential energy when atoms move in the direction of the
added forces.</p>
<p>The <a class="reference internal" href="fix_modify.html"><span class="doc">fix_modify</span></a> <em>respa</em> option is supported by
this fix. This allows to set at which level of the <a class="reference internal" href="run_style.html"><span class="doc">r-RESPA</span></a>
integrator the fix is adding its torque. Default is the outermost level.</p>
<p>This fix computes a global scalar and a global 3-vector, which can be
accessed by various <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">output commands</span></a>.
The scalar is the potential energy discussed above. The vector is the