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mlip-arena / tests /test_md.py

Commit History

Fix MD kwargs (#52)

28831ca

Yuan (Cyrus) Chiang commited on Mar 11

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

56200e6

Yuan (Cyrus) Chiang commited on Feb 1

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

f8f3ba7

Yuan (Cyrus) Chiang commited on Dec 15, 2024

test md

bd7f7a5

cyrusyc commited on Oct 21, 2024