Add support for a Q-Chem calculator and recipes (Part 1) #393
Codecov / codecov/project
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Jun 17, 2023 in 0s
26.11% (-72.44%) compared to f323854
View this Pull Request on Codecov
26.11% (-72.44%) compared to f323854
Details
Codecov Report
Merging #393 (99d2a1d) into main (f323854) will decrease coverage by
72.44%.
The diff coverage is14.85%.
@@ Coverage Diff @@
## main #393 +/- ##
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- Coverage 98.55% 26.11% -72.44%
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Files 32 35 +3
Lines 1660 1834 +174
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- Hits 1636 479 -1157
- Misses 24 1355 +1331 | Impacted Files | Coverage Δ | |
|---|---|---|
| quacc/calculators/qchem.py | 0.00% <0.00%> (ø) |
|
| quacc/recipes/qchem/core.py | 0.00% <0.00%> (ø) |
|
| quacc/custodian/qchem.py | 76.92% <76.92%> (ø) |
|
| quacc/settings.py | 97.72% <100.00%> (+0.22%) |
⬆️ |
| quacc/util/calc.py | 84.07% <100.00%> (-8.79%) |
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