Add bulk EOS and E-V scanning benchmark (#56)
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Yuan (Cyrus) Chiang
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Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47)
56200e6
Yuan (Cyrus) Chiang
commited on
Add convenient ZBL torch calculator (#44)
c7442c5
Yuan (Cyrus) Chiang
commited on
more logger; fix relaxation filter
df7cf57
improve caching, unify calculator init
50064b5
High-throughput EOS flow on alloy systems (#30)
80f7283
Yuan (Cyrus) Chiang
commited on
refactor eos into task (#28)
7471e3d
Yuan (Cyrus) Chiang
commited on
Add `eqV2_86M_omat_mp_salex` model (#14)
a133fcb
Yuan (Cyrus) Chiang
commited on