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votca / PyVOTCA

Generic tools to interact with Votca using Python
Apache License 2.0
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Electron phonon #24

Closed baumeier closed 3 years ago

baumeier commented 3 years ago

Implements #14

codecov[bot] commented 3 years ago

Codecov Report

Merging #24 (e9f729c) into master (fc73e73) will decrease coverage by 5.51%. The diff coverage is 34.54%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #24      +/-   ##
==========================================
- Coverage   72.81%   67.30%   -5.52%     
==========================================
  Files          10       13       +3     
  Lines         401      471      +70     
  Branches       59       64       +5     
==========================================
+ Hits          292      317      +25     
- Misses        106      150      +44     
- Partials        3        4       +1
Impacted Files Coverage Δ
pyvotca/visualization.py 27.27% <0.00%> (-0.86%) :arrow_down:
pyvotca/electron_phonon.py 26.66% <26.66%> (ø)
pyvotca/orca/orca.py 45.00% <60.00%> (ø)
pyvotca/molecule.py 82.71% <100.00%> (+0.21%) :arrow_up:
pyvotca/orca/__init__.py 100.00% <100.00%> (ø)

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felipeZ commented 3 years ago

@baumeier I will make the examples run as tests once this PR is merged