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refactor(abacus): get energy by keyword "final etot is" in abacus/scf#417

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wanghan-iapcm merged 11 commits intodeepmodeling:develfrom
pxlxingliang:scf
Jan 31, 2023
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refactor(abacus): get energy by keyword "final etot is" in abacus/scf#417
wanghan-iapcm merged 11 commits intodeepmodeling:develfrom
pxlxingliang:scf

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codecov-commenter commented Jan 30, 2023

Codecov Report

Base: 82.41% // Head: 82.39% // Decreases project coverage by -0.02% ⚠️

Coverage data is based on head (0c747d0) compared to base (d7829e5).
Patch coverage: 87.50% of modified lines in pull request are covered.

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Additional details and impacted files
@@            Coverage Diff             @@
##            devel     #417      +/-   ##
==========================================
- Coverage   82.41%   82.39%   -0.02%     
==========================================
  Files          67       67              
  Lines        5955     5954       -1     
==========================================
- Hits         4908     4906       -2     
- Misses       1047     1048       +1     
Impacted Files Coverage Δ
dpdata/abacus/scf.py 91.98% <87.50%> (-0.46%) ⬇️

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@wanghan-iapcm wanghan-iapcm merged commit 4283c9d into deepmodeling:devel Jan 31, 2023
@pxlxingliang pxlxingliang deleted the scf branch October 9, 2024 06:10
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3 participants