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mlip-arena
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5 contributors
History:
98 commits
Yuan (Cyrus) Chiang
Add plots, tex files, and missing MOF structure (#60)
79edee4
unverified
about 14 hours ago
combustion
Major cleanup (#51)
3 months ago
diatomics
Add plots, tex files, and missing MOF structure (#60)
about 14 hours ago
eos_alloy
Add Widom insertion (#34)
about 1 month ago
mof
Add Widom insertion (#34)
about 1 month ago
stability
Fix MD kwargs (#52)
2 months ago
thermal-conductivity
update wte
7 months ago
README.md
Safe
1.43 kB
Add Widom insertion (#34)
about 1 month ago
__init__.py
Safe
2.25 kB
hotfix mattersim pickling issue; add phonon task (#42)
4 months ago
elasticity.py
Safe
7.53 kB
Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47)
4 months ago
eos.py
Safe
5.29 kB
Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47)
4 months ago
md.py
Safe
12.5 kB
Add Widom insertion (#34)
about 1 month ago
neb.py
Safe
8.85 kB
Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47)
4 months ago
optimize.py
Safe
3.31 kB
Add bulk EOS and E-V scanning benchmark (#56)
21 days ago
phonon.py
Safe
5.19 kB
Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47)
4 months ago
registry.yaml
Safe
956 Bytes
Add plots, tex files, and missing MOF structure (#60)
about 14 hours ago
utils.py
Safe
3.96 kB
Add Widom insertion (#34)
about 1 month ago
