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mlip-arena / mlip_arena /tasks /elasticity.py

Commit History

Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47)
56200e6

Yuan (Cyrus) Chiang commited on

more logger; fix relaxation filter
df7cf57

cyrusyc commited on

improve caching, unify calculator init
50064b5

cyrusyc commited on

Add elasticity task (#37)
909effa

Yuan (Cyrus) Chiang commited on