Respected Lammps Users, I want to calculate atomic strains for the corresponding stress/atom and I havent found any of such command in lammps documetation but just the strain tensors using smd/strain is available but not peratom like compute stress/atom. Kindly assist
Thanks
I don’t believe there is a trivial answer for what constitutes strain at an atomic scale.
However, another possibility in LAMMPS is fix nonaffine/displacement command — LAMMPS documentation which calculates a common metric for nonaffine motion (D2min) via a fitted local strain tensor. It doesn’t output the full strain tensor (though I suppose it could), but it at least outputs some invariants.