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mlip-arena / tests /test_md.py

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Fix MD kwargs (#52)

b5053f0
unverified

Yuan (Cyrus) Chiang commited on 16 days ago

Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47)

419b35b
unverified

Yuan (Cyrus) Chiang commited on Feb 1

Return equilibrium volume and energy from EOS task (#29)

08a88d8
unverified

Yuan (Cyrus) Chiang commited on Dec 15, 2024

test md

4817e63

cyrusyc commited on Oct 21, 2024