Closed Lilachn91 closed 8 months ago
Merging #709 (b895514) into main (6b51ce5) will increase coverage by
0.02%
. The diff coverage is90.90%
.
@@ Coverage Diff @@
## main #709 +/- ##
==========================================
+ Coverage 73.52% 73.54% +0.02%
==========================================
Files 99 99
Lines 26602 26620 +18
Branches 5542 5545 +3
==========================================
+ Hits 19559 19578 +19
+ Misses 5673 5672 -1
Partials 1370 1370
Flag | Coverage Δ | |
---|---|---|
unittests | 73.54% <90.90%> (+0.02%) |
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Files | Coverage Δ | |
---|---|---|
arc/job/adapters/orca_test.py | 100.00% <100.00%> (ø) |
|
arc/job/adapters/orca.py | 48.20% <80.00%> (+1.18%) |
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arc/statmech/arkane.py | 49.32% <0.00%> (ø) |
... and 1 file with indirect coverage changes
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Added the option to write Orca v5 input files with solvation methods, plus fixed the error message when sp file is missing for rate calculations.