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mlip-arena / tests /test_neb.py

Commit History

Add Widom insertion (#34)

072f65e

Yuan (Cyrus) Chiang

hspark1212 commited on 20 days ago

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

56200e6

Yuan (Cyrus) Chiang commited on Feb 1

promote tasks up to module level

6194ba8

cyrusyc commited on Jan 12

Add neb task (#38)

a367f8b

Yuan (Cyrus) Chiang commited on Dec 25, 2024