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best_val_mae_both_model is not written if do_forces = MLIP_SETTINGS.U…
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…SE_FORCES = False (#397)

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Co-authored-by: Arslan Mazitov <[email protected]>
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DavideTisi and abmazitov authored Nov 27, 2024
1 parent 188f230 commit af0b280
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Showing 2 changed files with 2 additions and 2 deletions.
2 changes: 1 addition & 1 deletion pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -65,7 +65,7 @@ alchemical-model = [
"torch_alchemical @ git+https://github.com/abmazitov/torch_alchemical.git@51ff519",
]
pet = [
"pet @ git+https://github.com/lab-cosmo/pet@ee90692",
"pet @ git+https://github.com/lab-cosmo/pet@5d40710",
]
gap = [
"rascaline-torch @ git+https://github.com/luthaf/rascaline@5326b6e#subdirectory=python/rascaline-torch",
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2 changes: 1 addition & 1 deletion tox.ini
Original file line number Diff line number Diff line change
Expand Up @@ -118,7 +118,7 @@ extras = pet
changedir = src/metatrain/experimental/pet/tests/
commands =
python -m pip uninstall -y pet
python -m pip install "pet @ git+https://github.com/lab-cosmo/pet@ee90692" --no-build-isolation
python -m pip install "pet @ git+https://github.com/lab-cosmo/pet@5d40710" --no-build-isolation
pytest {posargs}

[testenv:gap-tests]
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