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atomind
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mlip-arena
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main
mlip-arena
/
tests
4 contributors
History:
34 commits
Yuan (Cyrus) Chiang
Fix MD kwargs (#52)
b5053f0
unverified
8 days ago
test_app.py
Safe
788 Bytes
Major cleanup (#51)
14 days ago
test_elasticity.py
Safe
1.27 kB
Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47)
about 2 months ago
test_eos.py
Safe
1.89 kB
Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47)
about 2 months ago
test_external_calculators.py
Safe
1.51 kB
Add MatterSim (#25)
3 months ago
test_internal_calculators.py
Safe
1.2 kB
Add convenient ZBL torch calculator (#44)
about 2 months ago
test_md.py
Safe
752 Bytes
Fix MD kwargs (#52)
8 days ago
test_neb.py
Safe
1.22 kB
Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47)
about 2 months ago