Closed BvB93 closed 2 years ago
Merging #227 (f9c6238) into master (04c1e6f) will not change coverage. The diff coverage is
0.00%
.
@@ Coverage Diff @@
## master #227 +/- ##
=======================================
Coverage 68.15% 68.15%
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Files 50 50
Lines 4041 4041
Branches 752 752
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Hits 2754 2754
Misses 1129 1129
Partials 158 158
Impacted Files | Coverage Δ | |
---|---|---|
CAT/data_handling/validation_schemas.py | 92.07% <ø> (ø) |
|
CAT/workflows/workflow.py | 75.47% <0.00%> (ø) |
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Enables or disables an (AMS-based) preoptimization of the XYn fragment at the UFF level of theory.