[lammps-users] About per-atom energy and stress

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1

Hi LAMMPS developer,

It seems that some docs of manybody potentials such as tersoff, sw etc have not updated yet. So I do not know which potentials can calculate per-atom energy and stress, as used by the compute epair/atom, compute stress/atom, and dump custom commands, and which ones can not. Could you have a check?

all the best

2

Actually all pair potentials now allow for computation of
per-atom energy and stress. The doc pages that say this
is not the case (e.g. Tersoff) just need to be updated.

Steve

2008/1/20 Lammps <[email protected]...>: