conformer search with solvation effect#737
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JintaoWu98 wants to merge 11 commits into
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Codecov / codecov/project
failed
Jun 27, 2026 in 0s
73.68% (-0.14%) compared to be1f6c8
View this Pull Request on Codecov
73.68% (-0.14%) compared to be1f6c8
Details
Codecov Report
❌ Patch coverage is 14.92537% with 57 lines in your changes missing coverage. Please review.
✅ Project coverage is 73.68%. Comparing base (be1f6c8) to head (efab850).
| Files with missing lines | Patch % | Lines |
|---|---|---|
| arc/species/conformers.py | 13.04% | 39 Missing and 1 partial |
| arc/main.py | 6.66% | 12 Missing and 2 partials |
| arc/scheduler.py | 50.00% | 2 Missing and 1 partial |
Additional details and impacted files
@@ Coverage Diff @@
## main #737 +/- ##
==========================================
- Coverage 73.82% 73.68% -0.14%
==========================================
Files 99 99
Lines 27346 27406 +60
Branches 5717 5727 +10
==========================================
+ Hits 20187 20195 +8
- Misses 5733 5782 +49
- Partials 1426 1429 +3 ☔ View full report in Codecov by Harness.
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