[Feature] Avoid overriding results and default soft nonbonded energy #13

Merged

degiacom merged 4 commits intomasterfrom dev

Oct 27, 2023

+78-14

Commits on Oct 26, 2023

keyword to Allow grad in valid and clean up logging
Samuel Musson
committed
updated openmm_physics_trainer to have soft non bonded as default
Samuel Musson
committed
avoid overriding checkpoints and log files
Samuel Musson
committed
adding version works better for logs now, it is saved as an int rather than a string
Samuel Musson
committed