Skip to content

Fix read_orca_hess silently returning energy=0.0 for ordinary jobs - #108

Merged
galjos merged 2 commits into
mainfrom
fix-orca-energy-parsing
Jul 8, 2026
Merged

Fix read_orca_hess silently returning energy=0.0 for ordinary jobs#108
galjos merged 2 commits into
mainfrom
fix-orca-energy-parsing

Update orca_thermo docstring/error to match the property.txt fix

49702b8
Select commit
Loading
Failed to load commit list.
Codecov / codecov/project succeeded Jul 8, 2026 in 1s

97.27% (+0.02%) compared to 3c30da7

View this Pull Request on Codecov

97.27% (+0.02%) compared to 3c30da7

Details

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 97.27%. Comparing base (3c30da7) to head (49702b8).

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #108      +/-   ##
==========================================
+ Coverage   97.25%   97.27%   +0.02%     
==========================================
  Files          31       31              
  Lines        1895     1910      +15     
==========================================
+ Hits         1843     1858      +15     
  Misses         52       52              

☔ View full report in Codecov by Harness.
📢 Have feedback on the report? Share it here.

🚀 New features to boost your workflow:
  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.