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atomind
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mlip-arena
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5716d3b
mlip-arena
/
mlip_arena
/
tasks
4 contributors
History:
88 commits
Yuan (Cyrus) Chiang
hotfix mattersim pickling issue; add phonon task (#42)
5716d3b
unverified
25 days ago
combustion
Add `ORBv2` hydrogen combustion result (#32)
about 2 months ago
diatomics
High-throughput EOS flow on alloy systems (#30)
about 2 months ago
eos_alloy
fine tune eos alloy flow
about 2 months ago
stability
clearn up unused md; force to use the updated one
4 months ago
thermal-conductivity
update wte
3 months ago
README.md
Safe
479 Bytes
add relax task, eos workflow, and prefect test
4 months ago
__init__.py
Safe
2.25 kB
hotfix mattersim pickling issue; add phonon task (#42)
25 days ago
elasticity.py
Safe
7.98 kB
more logger; fix relaxation filter
about 1 month ago
eos.py
Safe
5.65 kB
improve caching, unify calculator init
about 1 month ago
md.py
Safe
12.9 kB
promote tasks up to module level
30 days ago
neb.py
Safe
9.77 kB
promote tasks up to module level
30 days ago
optimize.py
Safe
3.53 kB
more logger; fix relaxation filter
about 1 month ago
phonon.py
Safe
5.21 kB
hotfix mattersim pickling issue; add phonon task (#42)
25 days ago
registry.yaml
Safe
542 Bytes
High-throughput EOS flow on alloy systems (#30)
about 2 months ago
utils.py
Safe
3.69 kB
hotfix mattersim pickling issue; add phonon task (#42)
25 days ago
