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added simple chg check #320

Merged
merged 2 commits into from
May 2, 2023
Merged

added simple chg check #320

merged 2 commits into from
May 2, 2023

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jmmshn
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@jmmshn jmmshn commented May 2, 2023

Basic charge states check

Make sure that the charge state matches the parsed output charge.
Mistakes can happen due to upstream pymatgen problems that were only fixed recently.

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codecov bot commented May 2, 2023

Codecov Report

Merging #320 (b15c303) into main (2a995d7) will decrease coverage by 0.14%.
The diff coverage is 87.50%.

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #320      +/-   ##
==========================================
- Coverage   65.90%   65.77%   -0.14%     
==========================================
  Files          73       73              
  Lines        7043     7051       +8     
  Branches      897      899       +2     
==========================================
- Hits         4642     4638       -4     
- Misses       2137     2149      +12     
  Partials      264      264              
Impacted Files Coverage Δ
src/atomate2/common/jobs/defect.py 88.88% <87.50%> (-0.12%) ⬇️

... and 1 file with indirect coverage changes

@utf
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utf commented May 2, 2023

Great, thanks!

@utf utf merged commit 5eae562 into materialsproject:main May 2, 2023
@utf utf added the enhancement Improvements to existing features label Sep 1, 2023
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2 participants