pair_style ZBL wanted

LAMMPS LAMMPS Mailing List Mirror
1

Hey everyone:

Since we can not use compute group/group with manybody potential such as tersoff/zbl, will anyone have a new pair_style zbl that can be used along with this command?

We really appreciate your help if you can share your pair_style zbl.

Best regards,

2

There is a fundamental reason that compute group/group
doesn't work with any manybody potential. The energy
you want between an atom in one group and a 2nd atom
in another group, is ill-defined for a many-body
potential.

Steve