Add xtb_fukui_indices: per-atom reactivity via xtb --vfukui - #123
Merged
Codecov / codecov/project
succeeded
Jul 13, 2026 in 1s
97.39% (+0.05%) compared to 7793902
View this Pull Request on Codecov
97.39% (+0.05%) compared to 7793902
Details
Codecov Report
✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 97.39%. Comparing base (7793902) to head (b1432d1).
Additional details and impacted files
@@ Coverage Diff @@
## main #123 +/- ##
==========================================
+ Coverage 97.34% 97.39% +0.05%
==========================================
Files 32 32
Lines 1957 1995 +38
==========================================
+ Hits 1905 1943 +38
Misses 52 52 ☔ View full report in Codecov by Harness.
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