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mlip-arena / tests /test_neb.py

Commit History

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

419b35b
unverified

Yuan (Cyrus) Chiang commited on Feb 1

promote tasks up to module level

8d70c47

cyrusyc commited on Jan 12

Add neb task (#38)

e59bc30
unverified

Yuan (Cyrus) Chiang commited on Dec 25, 2024