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duartegroup / autodE

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

Fix cleanup for non external io method #179

Closed t-young31 closed 1 year ago

t-young31 commented 1 year ago

Resolves #178

codecov[bot] commented 1 year ago

Codecov Report

Merging #179 (aae9530) into v1.3.1 (528281e) will increase coverage by 0.01%. The diff coverage is 100.00%.

@@            Coverage Diff             @@
##           v1.3.1     #179      +/-   ##
==========================================
+ Coverage   96.94%   96.95%   +0.01%     
==========================================
  Files         194      194              
  Lines       19811    19833      +22     
==========================================
+ Hits        19205    19230      +25     
+ Misses        606      603       -3
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/calculations/executors.py 98.35% <100.00%> (-0.40%) :arrow_down:
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_wrappers/test_nwchem.py 100.00% <100.00%> (ø)
tests/test_wrappers/test_xtb.py 99.42% <100.00%> (+0.04%) :arrow_up:

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