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deepmodeling / dpgen2

2nd generation of the Deep Potential GENerator
https://docs.deepmodeling.com/projects/dpgen2/
GNU Lesser General Public License v3.0
32 stars 24 forks source link

Randomize the conf sampling and the model to run MD #141

Closed wanghan-iapcm closed 1 year ago

wanghan-iapcm commented 1 year ago
wanghan-iapcm commented 1 year ago

UT will be fixed by #142

codecov-commenter commented 1 year ago

Codecov Report

Base: 87.50% // Head: 87.53% // Increases project coverage by +0.03% :tada:

Coverage data is based on head (28faaab) compared to base (10e4e28). Patch coverage: 94.28% of modified lines in pull request are covered.

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Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #141 +/- ## ========================================== + Coverage 87.50% 87.53% +0.03% ========================================== Files 74 74 Lines 3584 3619 +35 ========================================== + Hits 3136 3168 +32 - Misses 448 451 +3 ``` | [Impacted Files](https://codecov.io/gh/deepmodeling/dpgen2/pull/141?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling) | Coverage Δ | | |---|---|---| | [dpgen2/entrypoint/submit.py](https://codecov.io/gh/deepmodeling/dpgen2/pull/141?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBnZW4yL2VudHJ5cG9pbnQvc3VibWl0LnB5) | `70.49% <ø> (ø)` | | | [dpgen2/op/run\_lmp.py](https://codecov.io/gh/deepmodeling/dpgen2/pull/141?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBnZW4yL29wL3J1bl9sbXAucHk=) | `96.52% <94.11%> (-1.01%)` | :arrow_down: | | [dpgen2/constants.py](https://codecov.io/gh/deepmodeling/dpgen2/pull/141?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBnZW4yL2NvbnN0YW50cy5weQ==) | `100.00% <100.00%> (ø)` | | | [dpgen2/utils/download\_dpgen2\_artifacts.py](https://codecov.io/gh/deepmodeling/dpgen2/pull/141?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBnZW4yL3V0aWxzL2Rvd25sb2FkX2RwZ2VuMl9hcnRpZmFjdHMucHk=) | `90.30% <0.00%> (-0.52%)` | :arrow_down: | Help us with your feedback. Take ten seconds to tell us [how you rate us](https://about.codecov.io/nps?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling). Have a feature suggestion? [Share it here.](https://app.codecov.io/gh/feedback/?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling)

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