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Use stable CN weight calculation - #246

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awvwgk merged 1 commit into
dftd3:mainfrom
awvwgk:stable-cnweight
Oct 25, 2026
Merged

awvwgk merged 1 commit into
dftd3:mainfrom
awvwgk:stable-cnweight

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@awvwgk

@awvwgk awvwgk commented Oct 25, 2026

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Closes #245

@awvwgk awvwgk self-assigned this Oct 25, 2026
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codecov Bot commented Oct 25, 2026 •

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Codecov Report

❌ Patch coverage is 80.00000% with 1 line in your changes missing coverage. Please review.
✅ Project coverage is 63.39%. Comparing base (41d5a07) to head (727f1e7).
⚠️ Report is 4 commits behind head on main.

Files with missing lines Patch % Lines
src/dftd3/model.f90 80.00% 0 Missing and 1 partial ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #246      +/-   ##
==========================================
- Coverage   63.49%   63.39%   -0.10%     
==========================================
  Files          47       47              
  Lines        6821     6844      +23     
  Branches     2422     2435      +13     
==========================================
+ Hits         4331     4339       +8     
- Misses       1182     1191       +9     
- Partials     1308     1314       +6     

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@awvwgk
awvwgk merged commit 4db8e3e into dftd3:main Oct 25, 2026
48 of 50 checks passed
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