duartegroup / autodE

automated reaction profile generation
https://duartegroup.github.io/autodE/
MIT License
166 stars 51 forks source link

V1.3.0 #171

Closed t-young31 closed 1 year ago

t-young31 commented 1 year ago
codecov[bot] commented 1 year ago

Codecov Report

Merging #171 (a858513) into master (d59fab9) will increase coverage by 0.40%. The diff coverage is 98.50%.

:exclamation: Current head a858513 differs from pull request most recent head ef881a8. Consider uploading reports for the commit ef881a8 to get more accurate results

@@            Coverage Diff             @@
##           master     #171      +/-   ##
==========================================
+ Coverage   96.53%   96.94%   +0.40%     
==========================================
  Files         104      194      +90     
  Lines       10973    19785    +8812     
==========================================
+ Hits        10593    19180    +8587     
- Misses        380      605     +225     
Flag Coverage Δ
unittests 96.94% <98.50%> (+0.40%) :arrow_up:

Flags with carried forward coverage won't be shown. Click here to find out more.

Impacted Files Coverage Δ
autode/neb/neb.py 100.00% <ø> (ø)
autode/opt/optimisers/line_search.py 100.00% <ø> (ø)
autode/opt/optimisers/trust_region.py 95.06% <ø> (+0.03%) :arrow_up:
autode/solvent/solvents.py 98.55% <ø> (-0.03%) :arrow_down:
setup.py 0.00% <ø> (ø)
tests/benchmark.py 0.00% <0.00%> (ø)
tests/test_geom.py 100.00% <ø> (ø)
tests/test_substitution.py 100.00% <ø> (ø)
tests/test_wrappers/test_wrappers.py 100.00% <ø> (ø)
tests/test_opt/test_trust_region_methods.py 96.42% <57.14%> (ø)
... and 219 more

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