ACEsuit / mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

Geek Repo:Geek Repo

Github PK Tool:Github PK Tool

model_path vs model_paths in ase calculator on develop branch

davkovacs opened this issue · comments

We are breaking backward compatibility by changing that flag in the MACE calculator for ase.

I suggest we drop the s from the end to keep compatibility of develop with main.

Good idea, let's do that