I am performing a uniaxial compression test and I am using buckingham, stillinger and web potential, and coul/long potentials. I am interested in computing the total stress in the system after applying a constant strainrate.
Since per-atom stress does not include contributions due to long-range Coulombic interactions and the virial term from the pressure computation (compute pressure command) is computed for all pairwise as well as 2-body, 3-body, and 4-body, and long-range interactions. My question is would it be more accurate to use compute pressure command to compute the total pressure in the system? I am not sure this is the way stress is computed in md when long range forces are considered