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deepmodeling / dpdata

Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
https://docs.deepmodeling.com/projects/dpdata/
GNU Lesser General Public License v3.0
189 stars 128 forks source link

raise error instead of sys.exit #569

Closed njzjz closed 3 months ago

njzjz commented 8 months ago

sys.exit is a lousy implementation when one wants to catch the error.

codecov[bot] commented 8 months ago

Codecov Report

Attention: 1 lines in your changes are missing coverage. Please review.

Comparison is base (4536aa6) 82.81% compared to head (61ba0b4) 82.83%. Report is 2 commits behind head on devel.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## devel #569 +/- ## ========================================== + Coverage 82.81% 82.83% +0.02% ========================================== Files 73 74 +1 Lines 6580 6590 +10 ========================================== + Hits 5449 5459 +10 Misses 1131 1131 ``` | [Files](https://app.codecov.io/gh/deepmodeling/dpdata/pull/569?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling) | Coverage Δ | | |---|---|---| | [dpdata/qe/scf.py](https://app.codecov.io/gh/deepmodeling/dpdata/pull/569?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBkYXRhL3FlL3NjZi5weQ==) | `94.16% <0.00%> (-0.05%)` | :arrow_down: | ... and [2 files with indirect coverage changes](https://app.codecov.io/gh/deepmodeling/dpdata/pull/569/indirect-changes?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling)

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njzjz commented 3 months ago

ping @wanghan-iapcm