git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15042 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-05-12 14:02:27 +00:00
parent 9653976f05
commit b013a40965
41 changed files with 63 additions and 63 deletions

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<h2>Description</h2>
<p>This fix allows you to compute the free energy temperature dependence
by performing a thermodynamic integration procedure known as
Reversible Scaling <a class="reference internal" href="#dekoning99"><span class="std std-ref">(de Koning99,</span></a> <span class="xref std std-ref">de Koning00a)</span>. The thermodynamic integration is performed
Reversible Scaling <a class="reference internal" href="#dekoning99"><span class="std std-ref">(de Koning99,</span></a> <a class="reference internal" href="#dekoning00a"><span class="std std-ref">de Koning00a)</span></a>. The thermodynamic integration is performed
using the nonequilibrium method of Adiabatic Switching
<a class="reference internal" href="fix_ti_spring.html#watanabe"><span class="std std-ref">(Watanabe,</span></a> <a class="reference internal" href="fix_ti_spring.html#dekoning96"><span class="std std-ref">de Koning96)</span></a>.</p>
<p>The forces on the atoms are dynamically scaled during the simulation,