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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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used tools::NDimVector #703

Closed JensWehner closed 3 years ago

JensWehner commented 3 years ago

@votca-bot changelog: use NDimVector instead of std::vector in vxcgrid.

JensWehner commented 3 years ago

@votca-bot format

codecov[bot] commented 3 years ago

Codecov Report

Merging #703 (1b20c60) into master (b6551ee) will decrease coverage by 0.0%. The diff coverage is 100.0%.

Impacted file tree graph

@@           Coverage Diff            @@
##           master    #703     +/-   ##
========================================
- Coverage    51.2%   51.2%   -0.1%     
========================================
  Files         294     294             
  Lines       26861   26849     -12     
========================================
- Hits        13772   13760     -12     
  Misses      13089   13089
Impacted Files Coverage Δ
include/votca/xtp/sphere_lebedev_rule.h 84.6% <ø> (ø)
src/libxtp/grids/gridbox.cc 100.0% <ø> (ø)
src/libxtp/grids/vxc_grid.cc 96.2% <100.0%> (-0.3%) :arrow_down:

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