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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

Don't do biorthogonalization all the time #44

Closed gayverjr closed 2 years ago

codecov[bot] commented 2 years ago

Codecov Report

Merging #44 (2149a83) into main (a29e5a1) will increase coverage by 0.01%. The diff coverage is 90.00%.

@@            Coverage Diff             @@
##             main      #44      +/-   ##
==========================================
+ Coverage   80.06%   80.07%   +0.01%     
==========================================
  Files          35       35              
  Lines        3100     3107       +7     
==========================================
+ Hits         2482     2488       +6     
- Misses        618      619       +1
Impacted Files Coverage Δ
pyopencap/analysis/CAPTrajectory.py 88.83% <90.00%> (-0.06%) :arrow_down:

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