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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

Molcas fix #45

Closed gayverjr closed 2 years ago

gayverjr commented 2 years ago

Fix parsing of second order effective hamiltonian

codecov[bot] commented 2 years ago

Codecov Report

Merging #45 (845e6e9) into main (2bd6d63) will decrease coverage by 0.01%. The diff coverage is 100.00%.

@@            Coverage Diff             @@
##             main      #45      +/-   ##
==========================================
- Coverage   80.07%   80.05%   -0.02%     
==========================================
  Files          35       35              
  Lines        3107     3104       -3     
==========================================
- Hits         2488     2485       -3     
  Misses        619      619
Impacted Files Coverage Δ
opencap/src/molcas_interface.cpp 94.71% <100.00%> (-0.06%) :arrow_down:

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