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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1195 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-11-30 23:16:45 +00:00
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9
doc/compute_pe.html
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@ -23,14 +23,13 @@
<P><B>Examples:</B>
</P>
<PRE>compute 1 all pe
compute molPE all bond angle dihedral improper
compute molPE all pe bond angle dihedral improper
</PRE>
<P><B>Description:</B>
</P>
<P>Define a computation that calculates the potential energy of the
entire system of atoms. The specified group must be "all". See the
<A HREF = "compute_epair_atom.html">compute epair/atom</A> and <A HREF = "compute_ebond_atom.html">compute
ebond/atom</A> commands if you want per-atom
<A HREF = "compute_pe_atom.html">compute pe/atom</A> command if you want per-atom
energies. These per-atom values could be summed for a group of atoms
via the <A HREF = "compute_sum.html">compute sum</A> command.
</P>
@ -57,7 +56,9 @@ LAMMPS starts up, as if this command were in the input script:
</P>
<P><B>Restrictions:</B> none
</P>
<P><B>Related commands:</B> none
<P><B>Related commands:</B>
</P>
<P><A HREF = "compute_pe_atom.html">compute pe/atom</A>
</P>
<P><B>Default:</B> none
</P>