Hi,
is it possible to access separately the contributions to the per-atom forces
coming from pair and bonds interactions, respectively?
Thanks for any help,
Stefano
no - nor can I think of any simple way to do this. The problem
is that LAMMPS has one copy of the force array, which all
the contributions (pair, bond, angle, etc) get summed to. So
some auxiliary arrays to store partial forces would have to
be added along with all the bookkeeping for them.
This is done for the virial (see the compute stress/atom command),
but not for forces.
Steve