Hello all. I'm writing a fix that needs to have the per-atom potential energy by the final_integrate phase. Looking in Verlet::run, it seems that by that point all the data should be available to compute the current potential energy. However, I notice that the atomic potential energy is unchanged from the initial_integrate phase. I can't seem to get an updated PE until the next time step comes around. Can anyone suggest how I can get the PE in the final_integrate phase?
thanks,
Jeremy