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Update Q-Chem schema #1393

Merged
merged 23 commits into from
Feb 7, 2024
Merged

Update Q-Chem schema #1393

merged 23 commits into from
Feb 7, 2024

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Andrew-S-Rosen
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@Andrew-S-Rosen Andrew-S-Rosen commented Dec 20, 2023 •
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Use Emmet's Qchem TaskDoc. Closes #956.

Requires: materialsproject/emmet#929, materialsproject/emmet#930

@Andrew-S-Rosen Andrew-S-Rosen marked this pull request as draft December 20, 2023 20:08
@deepsource-autofix
style: format code with Black, isort and Prettier
d13cd24 
This commit fixes the style issues introduced in 67f2d93 according to the output
from Black, isort and Prettier.

Details: #1393
@Andrew-S-Rosen Andrew-S-Rosen marked this pull request as ready for review January 25, 2024 03:54
@Andrew-S-Rosen Andrew-S-Rosen added the enhancement New feature or request label Jan 25, 2024
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codecov bot commented Feb 7, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Comparison is base (3dd2d06) 99.30% compared to head (35c996f) 99.30%.

Additional details and impacted files 
@@            Coverage Diff             @@
##             main    #1393      +/-   ##
==========================================
- Coverage   99.30%   99.30%   -0.01%     
==========================================
  Files          83       83              
  Lines        3187     3183       -4     
==========================================
- Hits         3165     3161       -4     
  Misses         22       22

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@Andrew-S-Rosen Andrew-S-Rosen merged commit 9a5a4dc into main Feb 7, 2024
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@Andrew-S-Rosen Andrew-S-Rosen deleted the qchemschemaupdate branch February 7, 2024 02:40
@Andrew-S-Rosen Andrew-S-Rosen restored the qchemschemaupdate branch February 7, 2024 04:03
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