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votca / xtp

GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in complex molecular systems
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fixed bsecoupling checks #726

Closed JensWehner closed 3 years ago

JensWehner commented 3 years ago

fix https://github.com/votca/xtp/issues/447

JensWehner commented 3 years ago

@votca-bot format

JensWehner commented 3 years ago

@votca-bot changelog: Fixed exciton options checking

codecov[bot] commented 3 years ago

Codecov Report

Merging #726 (06a11a0) into master (2f2bcef) will increase coverage by 0.0%. The diff coverage is 28.5%.

:exclamation: Current head 06a11a0 differs from pull request most recent head f3a249e. Consider uploading reports for the commit f3a249e to get more accurate results Impacted file tree graph

@@          Coverage Diff           @@
##           master    #726   +/-   ##
======================================
  Coverage    51.6%   51.7%           
======================================
  Files         289     289           
  Lines       27060   27048   -12     
======================================
- Hits        13988   13984    -4     
+ Misses      13072   13064    -8
Impacted Files Coverage Δ
src/libxtp/bsecoupling.cc 65.3% <28.5%> (+0.7%) :arrow_up:

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