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mlip-arena
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mlip-arena
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mlip_arena
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1 contributor
History:
99 commits
Yuan (Cyrus) Chiang
Add energy conservation benchmark (#64)
9b93949
unverified
about 2 months ago
combustion
Major cleanup (#51)
4 months ago
diatomics
Add plots, tex files, and missing MOF structure (#60)
about 2 months ago
eos_alloy
Add Widom insertion (#34)
3 months ago
mof
Add Widom insertion (#34)
3 months ago
stability
Fix MD kwargs (#52)
4 months ago
thermal-conductivity
update wte
8 months ago
README.md
Safe
1.43 kB
Add Widom insertion (#34)
3 months ago
__init__.py
Safe
2.25 kB
hotfix mattersim pickling issue; add phonon task (#42)
6 months ago
elasticity.py
Safe
7.53 kB
Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47)
5 months ago
eos.py
Safe
5.29 kB
Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47)
5 months ago
md.py
Safe
12.5 kB
Add Widom insertion (#34)
3 months ago
neb.py
Safe
8.85 kB
Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47)
5 months ago
optimize.py
Safe
3.31 kB
Add bulk EOS and E-V scanning benchmark (#56)
2 months ago
phonon.py
Safe
5.45 kB
Add energy conservation benchmark (#64)
about 2 months ago
registry.yaml
Safe
956 Bytes
Add plots, tex files, and missing MOF structure (#60)
about 2 months ago
utils.py
Safe
3.96 kB
Add Widom insertion (#34)
3 months ago
