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chore: add missing commits from dihedral scan#21

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lwalew merged 2 commits intomainfrom
chore/missing-commits-from-dihedral-scan
Aug 7, 2025
Merged

chore: add missing commits from dihedral scan#21
lwalew merged 2 commits intomainfrom
chore/missing-commits-from-dihedral-scan

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@lwalew lwalew commented Aug 7, 2025

Adding some commits that were not pushed to remote.

@lwalew lwalew merged commit acfa93f into main Aug 7, 2025
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@lwalew lwalew deleted the chore/missing-commits-from-dihedral-scan branch August 7, 2025 08:54
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github-actions bot commented Aug 7, 2025

Coverage

Coverage Report
FileStmtsMissCoverMissing
src/mlipaudit
   __init__.py20100% 
   benchmark.py37975%86, 90, 96–98, 104–105, 115, 128
   io.py260100% 
src/mlipaudit/conformer_selection
   __init__.py10100% 
   conformer_selection.py780100% 
src/mlipaudit/dihedral_scan
   __init__.py10100% 
   dihedral_scan.py930100% 
src/mlipaudit/tautomers
   __init__.py10100% 
   tautomers.py710100% 
TOTAL310997% 

Tests Skipped Failures Errors Time
25 0 💤 0 ❌ 0 🔥 2.221s ⏱️

lwalew added a commit that referenced this pull request Sep 4, 2025
* chore: rename pr template file

* chore: remove Fragment from api
lwalew added a commit that referenced this pull request Sep 4, 2025
* chore: rename pr template file

* chore: remove Fragment from api
lwalew added a commit that referenced this pull request Sep 17, 2025
* chore: rename pr template file

* chore: remove Fragment from api
lwalew added a commit that referenced this pull request Sep 17, 2025
* chore: rename pr template file

* chore: remove Fragment from api
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