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Add external thermochemistry benchmarks - #135

Merged
galjos merged 2 commits into
mainfrom
anthraquinone-reference-validation
Jul 24, 2026
Merged

Add external thermochemistry benchmarks#135
galjos merged 2 commits into
mainfrom
anthraquinone-reference-validation

Add QM9 thermochemistry benchmark

478bca7
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Codecov / codecov/project succeeded Jul 24, 2026 in 0s

95.81% (+0.00%) compared to f17ec21

View this Pull Request on Codecov

95.81% (+0.00%) compared to f17ec21

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 95.81%. Comparing base (f17ec21) to head (478bca7).

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #135   +/-   ##
=======================================
  Coverage   95.81%   95.81%           
=======================================
  Files          34       34           
  Lines        2864     2866    +2     
=======================================
+ Hits         2744     2746    +2     
  Misses        120      120           

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