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mlip-arena / tests

4 contributors

History: 34 commits

Yuan (Cyrus) Chiang

Fix MD kwargs (#52)

b5053f0 unverified 8 days ago

test_app.py

788 Bytes

Major cleanup (#51) 14 days ago
test_elasticity.py

1.27 kB

Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47) about 2 months ago
test_eos.py

1.89 kB

Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47) about 2 months ago
test_external_calculators.py

1.51 kB

Add MatterSim (#25) 3 months ago
test_internal_calculators.py

1.2 kB

Add convenient ZBL torch calculator (#44) about 2 months ago
test_md.py

752 Bytes

Fix MD kwargs (#52) 8 days ago
test_neb.py

1.22 kB

Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47) about 2 months ago