Closed shoubhikraj closed 1 year ago
Merging #232 (f9061ab) into master (6813afd) will decrease coverage by
1.88%
. The diff coverage is37.13%
.:exclamation: Current head f9061ab differs from pull request most recent head 60beb91. Consider uploading reports for the commit 60beb91 to get more accurate results
@@ Coverage Diff @@
## master #232 +/- ##
==========================================
- Coverage 97.13% 95.26% -1.88%
==========================================
Files 196 196
Lines 20131 20743 +612
==========================================
+ Hits 19554 19760 +206
- Misses 577 983 +406
Flag | Coverage Δ | |
---|---|---|
unittests | 95.26% <37.13%> (-1.88%) |
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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/bitss.py | 0.00% <0.00%> (ø) |
|
tests/test_hessian.py | 98.57% <83.33%> (ø) |
|
autode/utils.py | 95.45% <91.86%> (-0.59%) |
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tests/test_utils.py | 96.94% <97.84%> (+0.43%) |
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autode/__init__.py | 100.00% <100.00%> (ø) |
|
autode/config.py | 100.00% <100.00%> (ø) |
|
autode/conformers/conformers.py | 100.00% <100.00%> (ø) |
|
autode/constraints.py | 98.70% <100.00%> (ø) |
|
autode/hessians.py | 99.17% <100.00%> (ø) |
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autode/neb/original.py | 97.69% <100.00%> (-0.01%) |
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... and 13 more |
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Lots of bugs, will fix and open a new PR
Add BITSS optimiser (draft)