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atomind-ai
mlip-arena
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Calculator instantiation inside Prefect task
- #91
#91
Merged
chiang-yuan
merged 9 commits into
main
atomind-ai/mlip-arena:main
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develop
atomind-ai/mlip-arena:develop
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Jun 16, 2026
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Calculator instantiation inside Prefect task
#91
chiang-yuan
merged 9 commits into
main
atomind-ai/mlip-arena:main
from
develop
atomind-ai/mlip-arena:develop
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Commits
Commits on Jun 15, 2026
refactor(tasks): unify calculator argument signatures in core tasks
chiang-yuan
committed
244a798
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refactor(flows): update flows and tasks to use unified calculator parameters
chiang-yuan
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bb7bfb4
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test(prefect): add regression test for NequIP calculator serialization
chiang-yuan
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4fba6da
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refactor(flows/tasks): update EV scan and Conservation tasks/flows with unified signatures
chiang-yuan
committed
75dd513
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test(refactor): update test suite call sites for unified calculator signatures
chiang-yuan
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c7a072f
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refactor(benchmarks): update benchmarks and submission flows to use unified parameters
chiang-yuan
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168ca91
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fix(tasks): restrict calculator clearing to end of MD runs and add test coverage
chiang-yuan
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da8728b
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ci: include test group in Hugging Face trial-branch name
chiang-yuan
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493753d
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Commits on Jun 16, 2026
test: add unit tests for eos_bulk, ev, and diatomics flows
chiang-yuan
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a957d9a
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