Directly compare ASE vs TorchSim Frechet cell FIRE relaxation #146

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Merged

janosh merged 13 commits into main from optimizer_ase_test

May 14, 2025

Merged

Directly compare ASE vs TorchSim Frechet cell FIRE relaxation #146

define MaceUrls StrEnum to avoid breaking tests when "small" checkpoi…

Codecov / codecov/patch succeeded May 14, 2025 in 0s

98.71% of diff hit (target 80.00%)

View this Pull Request on Codecov

98.71% of diff hit (target 80.00%)

Annotations

Check warning on line 1318 in torch_sim/optimizers.py

codecov / codecov/patch

torch_sim/optimizers.py#L1318

Added line #L1318 was not covered by tests

Check warning on line 1597 in torch_sim/optimizers.py

codecov / codecov/patch

torch_sim/optimizers.py#L1596-L1597

Added lines #L1596 - L1597 were not covered by tests

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