codecov[bot]
commented
1 year ago Codecov Report
Merging #249 (c003a59) into v1.4.0 (1f42142) will decrease coverage by
6.82%. The diff coverage is34.68%.:exclamation: Current head c003a59 differs from pull request most recent head 798857f. Consider uploading reports for the commit 798857f to get more accurate results
@@ Coverage Diff @@
## v1.4.0 #249 +/- ##
==========================================
- Coverage 96.86% 90.04% -6.82%
==========================================
Files 195 201 +6
Lines 20403 20970 +567
==========================================
- Hits 19763 18883 -880
- Misses 640 2087 +1447 | Flag | Coverage Δ | |
|---|---|---|
| unittests | 90.04% <34.68%> (-6.82%) |
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Flags with carried forward coverage won't be shown. Click here to find out more.
| Impacted Files | Coverage Δ | |
|---|---|---|
| autode/opt/optimisers/gdiis.py | 0.00% <0.00%> (ø) |
|
| autode/bracket/dhs.py | 18.34% <18.34%> (ø) |
|
| autode/bracket/imagepair.py | 48.06% <48.06%> (ø) |
|
| tests/test_bracket/test_imgpair.py | 49.52% <49.52%> (ø) |
|
| tests/test_bracket/test_dhs.py | 56.00% <56.00%> (ø) |
|
| autode/__init__.py | 100.00% <100.00%> (ø) |
|
| autode/bracket/__init__.py | 100.00% <100.00%> (ø) |
|
| autode/config.py | 100.00% <100.00%> (ø) |
|
| tests/test_reaction_with_complexes.py | 32.00% <0.00%> (-68.00%) |
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| autode/opt/optimisers/prfo.py | 30.00% <0.00%> (-67.50%) |
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| ... and 68 more |
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shoubhikraj
Adds the DHS method for finding transition state guesses.
Checklist