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mlip-arena / mlip_arena /tasks /eos.py

Commit History

convert `ResultRecord` to `result` if fetched from cache (#39)

00b56e2

Running
unverified

Yuan (Cyrus) Chiang commited on about 19 hours ago

fine tune eos alloy flow

ef47233

cyrusyc commited on 12 days ago

Allow fine grained intermediate cache for optimization in EOS task (#35)

b7a7786
unverified

Yuan (Cyrus) Chiang commited on 13 days ago

bugfix: variable should be s not state from outer scope

1cdbb3f

cyrusyc commited on 14 days ago

High-throughput EOS flow on alloy systems (#30)

1d1ee87
unverified

Yuan (Cyrus) Chiang commited on 17 days ago

Return equilibrium volume and energy from EOS task (#29)

08a88d8
unverified

Yuan (Cyrus) Chiang commited on 20 days ago

refactor eos into task (#28)

51638da
unverified

Yuan (Cyrus) Chiang commited on 20 days ago