FAIR-Chem / fairchem

FAIR Chemistry's library of machine learning methods for chemistry
https://opencatalystproject.org/
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calc compatability with new configs #724

Closed mshuaibii closed 3 months ago

mshuaibii commented 3 months ago

Resolves #723

Numpy has also updated to 2.0.0, which gives us issues with tensorboard. Drop down our numpy versions accordingly.

codecov[bot] commented 3 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Files Coverage Δ
...rc/fairchem/applications/cattsunami/core/ocpneb.py 85.27% <ø> (ø)
src/fairchem/core/common/relaxation/ase_utils.py 63.54% <100.00%> (+0.27%) :arrow_up:
src/fairchem/core/common/utils.py 62.93% <100.00%> (ø)
src/fairchem/core/trainers/base_trainer.py 86.52% <100.00%> (ø)
src/fairchem/core/trainers/ocp_trainer.py 66.31% <100.00%> (ø)