Closed t-young31 closed 1 year ago
Merging #247 (5f3151a) into v1.3.5 (0d03666) will increase coverage by
0.00%
. The diff coverage is100.00%
.:exclamation: Current head 5f3151a differs from pull request most recent head 53ee7b6. Consider uploading reports for the commit 53ee7b6 to get more accurate results
@@ Coverage Diff @@
## v1.3.5 #247 +/- ##
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Coverage 97.14% 97.15%
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Files 196 196
Lines 20172 20183 +11
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+ Hits 19597 19608 +11
Misses 575 575
Flag | Coverage Δ | |
---|---|---|
unittests | 97.15% <100.00%> (+<0.01%) |
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Flags with carried forward coverage won't be shown. Click here to find out more.
Impacted Files | Coverage Δ | |
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autode/wrappers/XTB.py | 98.53% <100.00%> (-0.03%) |
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tests/test_wrappers/test_xtb.py | 99.47% <100.00%> (+0.04%) |
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Resolves #245
Fixes cartesian coordinate constraints in XTB optimisations. I'm not convinced this ever worked correctly!
Checklist