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mlip-arena / mlip_arena /tasks /phonon.py

Commit History

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

419b35b
unverified

Yuan (Cyrus) Chiang commited on Feb 1

hotfix mattersim pickling issue; add phonon task (#42)

5716d3b
unverified

Yuan (Cyrus) Chiang commited on Jan 17