deepmodeling / dpgen2

2nd generation of the Deep Potential GENerator
https://docs.deepmodeling.com/projects/dpgen2/
GNU Lesser General Public License v3.0
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Add wf name to config; Better error format #166

Closed zjgemi closed 11 months ago

wanghan-iapcm commented 11 months ago

You may need to merge with #165 to fix the UT issues.

codecov[bot] commented 11 months ago

Codecov Report

Attention: 3 lines in your changes are missing coverage. Please review.

Comparison is base (ee4b2a9) 88.13% compared to head (aae0bcd) 88.12%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #166 +/- ## ========================================== - Coverage 88.13% 88.12% -0.02% ========================================== Files 80 80 Lines 4021 4032 +11 ========================================== + Hits 3544 3553 +9 - Misses 477 479 +2 ``` | [Files](https://app.codecov.io/gh/deepmodeling/dpgen2/pull/166?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling) | Coverage Δ | | |---|---|---| | [dpgen2/entrypoint/args.py](https://app.codecov.io/gh/deepmodeling/dpgen2/pull/166?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBnZW4yL2VudHJ5cG9pbnQvYXJncy5weQ==) | `91.26% <100.00%> (+0.06%)` | :arrow_up: | | [dpgen2/entrypoint/submit.py](https://app.codecov.io/gh/deepmodeling/dpgen2/pull/166?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBnZW4yL2VudHJ5cG9pbnQvc3VibWl0LnB5) | `68.95% <100.00%> (ø)` | | | [dpgen2/fp/vasp.py](https://app.codecov.io/gh/deepmodeling/dpgen2/pull/166?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBnZW4yL2ZwL3Zhc3AucHk=) | `100.00% <100.00%> (ø)` | | | [dpgen2/op/run\_dp\_train.py](https://app.codecov.io/gh/deepmodeling/dpgen2/pull/166?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBnZW4yL29wL3J1bl9kcF90cmFpbi5weQ==) | `98.43% <100.00%> (+0.02%)` | :arrow_up: | | [dpgen2/op/run\_lmp.py](https://app.codecov.io/gh/deepmodeling/dpgen2/pull/166?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBnZW4yL29wL3J1bl9sbXAucHk=) | `96.63% <100.00%> (+0.05%)` | :arrow_up: | | [...oration/task/customized\_lmp\_template\_task\_group.py](https://app.codecov.io/gh/deepmodeling/dpgen2/pull/166?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBnZW4yL2V4cGxvcmF0aW9uL3Rhc2svY3VzdG9taXplZF9sbXBfdGVtcGxhdGVfdGFza19ncm91cC5weQ==) | `94.25% <0.00%> (-1.10%)` | :arrow_down: | | [dpgen2/fp/gaussian.py](https://app.codecov.io/gh/deepmodeling/dpgen2/pull/166?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBnZW4yL2ZwL2dhdXNzaWFuLnB5) | `91.48% <33.33%> (-1.85%)` | :arrow_down: |

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