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Fix(abacus): add judgment on the existence of INPUT/running_scf.log/STRU files in abacus/scf#405

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wanghan-iapcm merged 8 commits intodeepmodeling:develfrom
pxlxingliang:scf
Jan 5, 2023
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Fix(abacus): add judgment on the existence of INPUT/running_scf.log/STRU files in abacus/scf#405
wanghan-iapcm merged 8 commits intodeepmodeling:develfrom
pxlxingliang:scf

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return a null dict but not raiseError when INPUT/running_scf.log/STRU files are not exist in abacus/scf.

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Codecov Report

Base: 82.49% // Head: 82.44% // Decreases project coverage by -0.05% ⚠️

Coverage data is based on head (557cd73) compared to base (b92d073).
Patch coverage: 62.50% of modified lines in pull request are covered.

Additional details and impacted files
@@            Coverage Diff             @@
##            devel     #405      +/-   ##
==========================================
- Coverage   82.49%   82.44%   -0.06%     
==========================================
  Files          67       67              
  Lines        5919     5929      +10     
==========================================
+ Hits         4883     4888       +5     
- Misses       1036     1041       +5     
Impacted Files Coverage Δ
dpdata/abacus/scf.py 92.43% <62.50%> (-1.87%) ⬇️

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@wanghan-iapcm wanghan-iapcm merged commit e6cbaab into deepmodeling:devel Jan 5, 2023
@pxlxingliang pxlxingliang deleted the scf branch January 19, 2023 06:42
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3 participants