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Fix gradient for ATM contribution#180

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awvwgk merged 3 commits into
dftd3:mainfrom
awvwgk:pbc-grad
May 4, 2026
Merged

Fix gradient for ATM contribution#180
awvwgk merged 3 commits into
dftd3:mainfrom
awvwgk:pbc-grad

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@awvwgk awvwgk commented May 4, 2026

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@awvwgk awvwgk added the bug Something isn't working label May 4, 2026
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codecov Bot commented May 4, 2026

Codecov Report

❌ Patch coverage is 0% with 1 line in your changes missing coverage. Please review.
✅ Project coverage is 65.99%. Comparing base (f6985c3) to head (a875c25).
⚠️ Report is 1 commits behind head on main.

Files with missing lines Patch % Lines
src/dftd3/disp.f90 0.00% 0 Missing and 1 partial ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #180      +/-   ##
==========================================
- Coverage   66.01%   65.99%   -0.02%     
==========================================
  Files          34       34              
  Lines        4843     4844       +1     
  Branches     1671     1672       +1     
==========================================
  Hits         3197     3197              
  Misses        691      691              
- Partials      955      956       +1     

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@awvwgk awvwgk merged commit f12ea0b into dftd3:main May 4, 2026
28 of 30 checks passed
@awvwgk awvwgk deleted the pbc-grad branch May 4, 2026 10:24
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