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Fix cleanup for non external io method #179

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merged 5 commits into from
Oct 4, 2022

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Resolves #178

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codecov bot commented Oct 4, 2022

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%) ⬆️

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%) ⬇️
tests/conftest.py 100.00% <100.00%> (ø)
tests/test_calculation.py 97.06% <100.00%> (+0.03%) ⬆️
tests/test_hessian.py 98.51% <100.00%> (+<0.01%) ⬆️
tests/test_wrappers/test_nwchem.py 100.00% <100.00%> (ø)
tests/test_wrappers/test_xtb.py 99.42% <100.00%> (+0.04%) ⬆️

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@t-young31 t-young31 added this to the v1.3.1 milestone Oct 4, 2022
@t-young31 t-young31 linked an issue Oct 4, 2022 that may be closed by this pull request
@t-young31 t-young31 merged commit 2418d72 into duartegroup:v1.3.1 Oct 4, 2022
@t-young31 t-young31 deleted the calc_non_external_bugfix branch October 4, 2022 21:14
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Forced calculation cleanup fails with a non external io Method
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