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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8097 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-05-18 22:14:39 +00:00
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doc/compute_pe_atom.html
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@ -55,7 +55,8 @@ these terms is included in the pair energy, not the dihedral energy.
<A HREF = "#Heyes">(Heyes)</A> for the Ewald method and a related method for PPPM,
as specified by the <A HREF = "kspace_style.html">kspace_style pppm</A> command.
For PPPM, the calcluation requires 1 extra FFT each timestep that
per-atom stress is calculated.
per-atom energy is calculated. Thie <A HREF = "PDF/kspace.pdf">document</A>
describes how the long-range per-atom energy calculation is performed.
</P>
<P>As an example of per-atom potential energy compared to total potential
energy, these lines in an input script should yield the same result