Dear All,
I have problem with pressure (virial) calculation. My task is quite different than normal. In my case I have total forces Fk on particle k (treated as the sum of all the forces from the other particles j in the system). I have that information from external program (e.g. CP2K), off course I have also atoms positions all k particles. My question is how can I calculate a virial component (pressure) with that?
Thank you!