I have a problem about how to get the values of fx, fy, fz between
ith-atom (i=1…N, where N is the total number of atoms) and each of
its neighbors when “pair_style hybrid/overlay” is used. The detail is
as follows.
“pair_style hybrid/overlay” with Tersoff and Lennard-Jones potentials
was set. Then I tried to determine the force components between
ith-atom and each of its neighbors by using “compute pair/local” and
“dump local”. However, an error occurred saying "ERROR: Pair hybrid
sub-style does not support single call".
Is there any comment in LAMMPS which can dump the local force
components (not global and per-atom) under “hybrid/overlay”? I would
deeply appreciate your response. Thanks a lot.
I have a problem about how to get the values of fx, fy, fz between
ith-atom (i=1...N, where N is the total number of atoms) and each of
its neighbors when "pair_style hybrid/overlay" is used. The detail is
as follows.
"pair_style hybrid/overlay" with Tersoff and Lennard-Jones potentials
was set. Then I tried to determine the force components between
ith-atom and each of its neighbors by using "compute pair/local" and
"dump local". However, an error occurred saying "ERROR: Pair hybrid
sub-style does not support single call".
Is there any comment in LAMMPS which can dump the local force
components (not global and per-atom) under "hybrid/overlay"? I would
deeply appreciate your response. Thanks a lot.
the problem is not due to hybrid overlay, but with tersoff.
tersoff is a many-body potential and by the very nature of
such a potential, you cannot compute pairwise contributions.