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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3495 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-12-03 23:58:11 +00:00
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13
doc/compute_pe_atom.txt
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@ -27,12 +27,7 @@ compute 1 all pe/atom pair bond :pre
Define a computation that computes the per-atom potential energy for
each atom in a group. See the "compute pe"_compute_pe.html command if
you want the potential energy of the entire system. The per-atom
energies can be accessed as scalar values by any command that uses
per-atom computes, e.g. the "dump custom"_dump.html command or "fix
ave/spatial"_fix_ave_spatial.html command or "fix
ave/atom"_fix_ave_atom.html command. See "this
section"_Section_howto.html#4_15 for an overview.
you want the potential energy of the entire system.
The per-atom energy is calculated by the various pair, bond, etc
potentials defined for the simulation. If no extra keywords are
@ -68,9 +63,9 @@ contribution can easily be computed.
[Output info:]
This compute calculates a scalar quantity for each atom, which can be
accessed by any command that uses per-atom computes as input. See
"this section"_Section_howto.html#4_15 for an overview of LAMMPS
output options.
accessed by any command that uses per-atom values from a compute as
input. See "this section"_Section_howto.html#4_15 for an overview of
LAMMPS output options.
[Restrictions:]