duartegroup / autodE

automated reaction profile generation
https://duartegroup.github.io/autodE/
MIT License
171 stars 52 forks source link

V1.3.1 #180

Closed t-young31 closed 2 years ago

codecov[bot] commented 2 years ago

Codecov Report

Merging #180 (2418d72) into master (5166fc1) will increase coverage by 0.01%. The diff coverage is 100.00%.

@@            Coverage Diff             @@
##           master     #180      +/-   ##
==========================================
+ Coverage   96.94%   96.95%   +0.01%     
==========================================
  Files         194      194              
  Lines       19785    19833      +48     
==========================================
+ Hits        19180    19230      +50     
+ Misses        605      603       -2     
Flag Coverage Δ
unittests 96.95% <100.00%> (+0.01%) :arrow_up:

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

Impacted Files Coverage Δ
autode/__init__.py 100.00% <100.00%> (ø)
autode/calculations/executors.py 98.35% <100.00%> (+0.85%) :arrow_up:
autode/utils.py 95.38% <100.00%> (+0.03%) :arrow_up:
tests/conftest.py 100.00% <100.00%> (ø)
tests/test_calculation.py 97.06% <100.00%> (+0.03%) :arrow_up:
tests/test_hessian.py 98.51% <100.00%> (+<0.01%) :arrow_up:
tests/test_utils.py 95.70% <100.00%> (+0.60%) :arrow_up:
tests/test_wrappers/test_nwchem.py 100.00% <100.00%> (ø)
tests/test_wrappers/test_xtb.py 99.42% <100.00%> (+0.04%) :arrow_up:

Help us with your feedback. Take ten seconds to tell us how you rate us. Have a feature suggestion? Share it here.