Dear Sir,
I would like to know if there is a possibility in Lammps to get directly at a given time of the simulation the force vector f = - grad V.
Sincerely yours
Evangeline
Dear Sir,
I would like to know if there is a possibility in Lammps to get directly at a given time of the simulation the force vector f = - grad V.
Sincerely yours
Evangeline
Fix store/force stores the force immediately
after the pair/bond/angle/etc potentials have
been evaluated. And you can dump it, etc.
Steve