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Refactor(abacus): return None but not raise error when energy can not be found in scf#402

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wanghan-iapcm merged 6 commits intodeepmodeling:develfrom
pxlxingliang:scf
Dec 22, 2022
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Refactor(abacus): return None but not raise error when energy can not be found in scf#402
wanghan-iapcm merged 6 commits intodeepmodeling:develfrom
pxlxingliang:scf

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codecov-commenter commented Dec 22, 2022

Codecov Report

Base: 82.36% // Head: 82.36% // Decreases project coverage by -0.00% ⚠️

Coverage data is based on head (b7aa949) compared to base (b4a82a3).
Patch coverage: 0.00% of modified lines in pull request are covered.

Additional details and impacted files
@@            Coverage Diff             @@
##            devel     #402      +/-   ##
==========================================
- Coverage   82.36%   82.36%   -0.01%     
==========================================
  Files          67       67              
  Lines        5903     5919      +16     
==========================================
+ Hits         4862     4875      +13     
- Misses       1041     1044       +3     
Impacted Files Coverage Δ
dpdata/abacus/scf.py 94.29% <0.00%> (ø)
dpdata/gaussian/gjf.py 72.89% <0.00%> (-1.87%) ⬇️
dpdata/gaussian/log.py 100.00% <0.00%> (ø)

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@wanghan-iapcm wanghan-iapcm merged commit 5d9a63f into deepmodeling:devel Dec 22, 2022
@pxlxingliang pxlxingliang deleted the scf branch December 22, 2022 05:25
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3 participants