mlip-arena / mlip_arena /tasks /elasticity.py

Commit History

Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47)
419b35b
unverified

Yuan (Cyrus) Chiang commited on

more logger; fix relaxation filter
e80e29d

cyrusyc commited on

improve caching, unify calculator init
a787930

cyrusyc commited on

Add elasticity task (#37)
587c7e5
unverified

Yuan (Cyrus) Chiang commited on