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atomind
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mlip-arena
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mlip-arena
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mlip_arena
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5 contributors
History:
97 commits
Yuan (Cyrus) Chiang
Add bulk EOS and E-V scanning benchmark (#56)
75ac94f
about 5 hours ago
combustion
Major cleanup (#51)
about 2 months ago
diatomics
Add eSEN and update dependency versions (#58)
1 day ago
eos_alloy
Add Widom insertion (#34)
20 days ago
mof
Add Widom insertion (#34)
20 days ago
stability
Fix MD kwargs (#52)
about 2 months ago
thermal-conductivity
update wte
6 months ago
README.md
Safe
1.43 kB
Add Widom insertion (#34)
20 days ago
__init__.py
Safe
2.25 kB
hotfix mattersim pickling issue; add phonon task (#42)
3 months ago
elasticity.py
Safe
7.53 kB
Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47)
3 months ago
eos.py
Safe
5.29 kB
Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47)
3 months ago
md.py
Safe
12.5 kB
Add Widom insertion (#34)
20 days ago
neb.py
Safe
8.85 kB
Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47)
3 months ago
optimize.py
Safe
3.31 kB
Add bulk EOS and E-V scanning benchmark (#56)
about 5 hours ago
phonon.py
Safe
5.19 kB
Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47)
3 months ago
registry.yaml
Safe
830 Bytes
Add bulk EOS and E-V scanning benchmark (#56)
about 5 hours ago
utils.py
Safe
3.96 kB
Add Widom insertion (#34)
20 days ago
