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Add in-memory thermochemistry from PySCF results - #103

Merged
galjos merged 3 commits into
mainfrom
pyscf-thermo
Jul 7, 2026
Merged

Add in-memory thermochemistry from PySCF results#103
galjos merged 3 commits into
mainfrom
pyscf-thermo

Make the pyscf missing-dependency test order-robust

bc26455
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Codecov / codecov/project succeeded Jul 7, 2026 in 1s

97.22% (+0.03%) compared to 09317c4

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97.22% (+0.03%) compared to 09317c4

Details

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 97.22%. Comparing base (09317c4) to head (bc26455).

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #103      +/-   ##
==========================================
+ Coverage   97.19%   97.22%   +0.02%     
==========================================
  Files          30       30              
  Lines        1852     1872      +20     
==========================================
+ Hits         1800     1820      +20     
  Misses         52       52              

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