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gayverjr / opencap

An open source program for the description of metastable electronic states in molecules.
https://gayverjropencap.readthedocs.io/en/latest/index.html
MIT License
19 stars 7 forks source link

Traj analysis #23

Closed gayverjr closed 3 years ago

codecov[bot] commented 3 years ago

Codecov Report

Merging #23 (10ececf) into main (65cdd7f) will decrease coverage by 8.34%. The diff coverage is 79.58%.

:exclamation: Current head 10ececf differs from pull request most recent head ff6d7d3. Consider uploading reports for the commit ff6d7d3 to get more accurate results Impacted file tree graph

@@            Coverage Diff             @@
##             main      #23      +/-   ##
==========================================
- Coverage   79.59%   71.24%   -8.35%     
==========================================
  Files          22       27       +5     
  Lines        1955     2483     +528     
==========================================
+ Hits         1556     1769     +213     
- Misses        399      714     +315
Impacted Files Coverage Δ
opencap/include/Atom.h 100.00% <ø> (ø)
opencap/include/BasisSet.h 100.00% <ø> (ø)
opencap/include/Shell.h 100.00% <ø> (ø)
opencap/include/System.h 100.00% <ø> (ø)
opencap/include/opencap_exception.h 0.00% <ø> (-100.00%) :arrow_down:
opencap/src/AOCAP.cpp 90.35% <ø> (-0.22%) :arrow_down:
opencap/src/Atom.cpp 92.59% <ø> (ø)
opencap/src/BasisSet.cpp 95.65% <ø> (ø)
opencap/src/Shell.cpp 75.47% <ø> (ø)
opencap/src/keywords.cpp 100.00% <ø> (ø)
... and 32 more

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