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Fixes input #445

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merged 24 commits into from
May 13, 2020
Merged

Fixes input #445

merged 24 commits into from
May 13, 2020

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@felipeZ felipeZ commented May 7, 2020 •
edited by junghans
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fix #442

@felipeZ felipeZ requested a review from JensWehner May 7, 2020 10:49
@felipeZ felipeZ marked this pull request as ready for review May 7, 2020 11:39
@felipeZ felipeZ marked this pull request as draft May 7, 2020 11:42
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codecov bot commented May 7, 2020 •
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Codecov Report

Merging #445 into master will decrease coverage by 0.0%.
The diff coverage is 0.0%.

Impacted file tree graph

@@           Coverage Diff            @@
##           master    #445     +/-   ##
========================================
- Coverage    63.3%   63.3%   -0.1%     
========================================
  Files         279     279             
  Lines       22788   22790      +2     
========================================
  Hits        14437   14437             
- Misses       8351    8353      +2
Flag Coverage Δ
#gcc 63.3% <0.0%> (-0.1%) ⬇️
Impacted Files Coverage Δ
include/votca/xtp/bsecoupling.h 100.0% <ø> (ø)
src/libxtp/bsecoupling.cc 66.9% <ø> (ø)
src/libxtp/calculators/kmcmultiple.cc 0.0% <0.0%> (ø)
src/libxtp/jobcalculators/iqm.cc 0.0% <0.0%> (ø)
src/libxtp/kmccalculator.cc 0.0% <0.0%> (ø)
src/libxtp/polarregion.cc 0.0% <0.0%> (ø)
src/libxtp/qmregion.cc 0.0% <0.0%> (ø)

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@felipeZ felipeZ marked this pull request as ready for review May 7, 2020 12:31
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felipeZ commented May 7, 2020

@JensWehner this PR should fix the issues in the tutorial

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JensWehner suggested changes May 7, 2020
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Should we remove all values from inside the xml tags?

share/packages/gwbse.xml Outdated Show resolved Hide resolved
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share/xtp/xml/eanalyze.xml Outdated Show resolved Hide resolved
share/xtp/xml/eqm.xml Outdated Show resolved Hide resolved
share/xtp/xml/ianalyze.xml Outdated Show resolved Hide resolved
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@felipeZ felipeZ marked this pull request as draft May 7, 2020 13:45
@junghans junghans requested a review from JensWehner May 8, 2020 18:42
@junghans junghans marked this pull request as ready for review May 9, 2020 00:07
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@felipeZ is this ready?

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felipeZ commented May 9, 2020

@felipeZ is this ready?

@JensWehner, it is still not ready, the tutorial doesn't work

This was referenced May 13, 2020
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@felipeZ felipeZ marked this pull request as draft May 13, 2020 09:40
@felipeZ felipeZ marked this pull request as ready for review May 13, 2020 12:57
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felipeZ commented May 13, 2020

@JensWehner this PR is finally ready for review :)

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Looks good

@junghans junghans merged commit a3865e2 into master May 13, 2020
@junghans junghans deleted the fixes_input branch May 13, 2020 18:17
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