Closed kenko911 closed 10 months ago
@kenko911 What do you need from me?
Hi @janosh, thanks for reporting the error. I just changed the model version and I would like to know if it fixes the error you reported in #193😁?
@janosh Yes it is fixed. But this is more for future-proofness. We want a proper versioning of model so that the cache invalidation works properly. It is not related to the tests in pymatgen/downstream codes.
Summary
The model version of the Potential class is changed from 1 to 2. This prevents the wrong loading of the model.
Checklist
ruff
.mypy
.duecredit
@due.dcite
decorators to reference relevant papers by DOI (example)Tip: Install
pre-commit
hooks to auto-check types and linting before every commit: