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mlip-arena / tests

4 contributors

History: 31 commits

Yuan (Cyrus) Chiang

Add convenient ZBL torch calculator (#44)

7cc6c4a unverified 12 days ago

test_elasticity.py

1.22 kB

Add elasticity task (#37) about 1 month ago
test_eos.py

1.84 kB

promote run deps, bump prefect and mace versions (#40) 24 days ago
test_external_calculators.py

1.51 kB

Add MatterSim (#25) about 2 months ago
test_internal_calculators.py

1.2 kB

Add convenient ZBL torch calculator (#44) 12 days ago
test_md.py

654 Bytes

Return equilibrium volume and energy from EOS task (#29) about 2 months ago
test_neb.py

1.12 kB

promote tasks up to module level 23 days ago