Dear all,
I use SW potential function and I want to know how I can compute the force
on atom i duo its neighbor atoms j and k (Fijk) from the three body term
of SW or Tersoff potential functions?
Any help would be appreciated.
Ali Rajabpour
You can look in pair_sw.cpp and see where the 2-body and 3-body
terms are computed. If you want to tally the forces separately
you'll have to add that yourself.
Steve