the new include_cell_forces keyword of generate_force_convergence_fn added in #203 defaults to False (which is the original behavior) but should be changed to True to match ASE.
https://github.com/Radical-AI/torch-sim/blob/2e4a40821a99355b0bfedeb2b2398738baed3743/torch_sim/runners.py#L287-L292
the new
include_cell_forceskeyword ofgenerate_force_convergence_fnadded in #203 defaults toFalse(which is the original behavior) but should be changed toTrueto match ASE.https://github.com/Radical-AI/torch-sim/blob/2e4a40821a99355b0bfedeb2b2398738baed3743/torch_sim/runners.py#L287-L292