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Improve the grad_not_orth handler#399

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shyuep merged 2 commits into
materialsproject:masterfrom
Andrew-S-Rosen:grad_not_orth
Sep 17, 2025
Merged

Improve the grad_not_orth handler#399
shyuep merged 2 commits into
materialsproject:masterfrom
Andrew-S-Rosen:grad_not_orth

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Summary

The grad_not_orth handler previously did nothing if a Meta-GGA or hybrid functional was used. Now, it switches ALGO to Normal.

@Andrew-S-Rosen Andrew-S-Rosen marked this pull request as draft September 8, 2025 16:15
@Andrew-S-Rosen Andrew-S-Rosen marked this pull request as ready for review September 8, 2025 16:22
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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 69.74%. Comparing base (aa02baf) to head (fa308da).
⚠️ Report is 2 commits behind head on master.

Additional details and impacted files
@@            Coverage Diff             @@
##           master     #399      +/-   ##
==========================================
- Coverage   69.74%   69.74%   -0.01%     
==========================================
  Files          39       39              
  Lines        3504     3503       -1     
==========================================
- Hits         2444     2443       -1     
  Misses       1060     1060              

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@shyuep shyuep merged commit 6544acb into materialsproject:master Sep 17, 2025
7 of 8 checks passed
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3 participants