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mv bsecoupling defaults to the xml files #451

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merged 3 commits into from
May 19, 2020
Merged

mv bsecoupling defaults to the xml files #451

merged 3 commits into from
May 19, 2020

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felipeZ
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@felipeZ felipeZ commented May 18, 2020

Proposed changes

Remove the default values from the header file of bsecoupling into the Calculator XML files (e.g. iqm)

@felipeZ felipeZ requested a review from JensWehner May 18, 2020 16:03
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codecov bot commented May 18, 2020

Codecov Report

Merging #451 into master will decrease coverage by 0.0%.
The diff coverage is 100.0%.

Impacted file tree graph

@@           Coverage Diff            @@
##           master    #451     +/-   ##
========================================
- Coverage    63.3%   63.3%   -0.1%     
========================================
  Files         279     279             
  Lines       22790   22787      -3     
========================================
- Hits        14437   14434      -3     
  Misses       8353    8353             
Flag Coverage Δ
#gcc 63.3% <100.0%> (-0.1%) ⬇️
Impacted Files Coverage Δ
include/votca/xtp/bsecoupling.h 100.0% <ø> (ø)
src/libxtp/bsecoupling.cc 66.5% <100.0%> (-0.4%) ⬇️

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@junghans
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Maybe add a test.

@felipeZ
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felipeZ commented May 19, 2020

Maybe add a test.

@junghans I am creating a Jupyter notebook with the tutorial, where we can test this functionality

@felipeZ felipeZ merged commit d240a77 into master May 19, 2020
@felipeZ felipeZ deleted the bsecoupling branch May 19, 2020 06:45
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2 participants