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Changes to tmpdir behaviour; tweaks to the tutorial docs #175

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merged 9 commits into from
Sep 16, 2022

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elinscott
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@elinscott elinscott commented Aug 24, 2022

  • changes to the way we set up the tmpdirs in the wannier and folding workflows, in order to mean that the code does not crash if I load wf from a json in one directory but then call wf.run() from another
  • Removing the provided nr?b keywords from the tutorial 2 input file (because these are now autogenerated)
  • Fixing a highlight in the rst docs

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pep8speaks commented Aug 26, 2022

Hello @elinscott! Thanks for updating this PR.

There are currently no PEP 8 issues detected in this Pull Request. Cheers! 🍻

Comment last updated at 2022-08-26 16:09:42 UTC

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codecov-commenter commented Aug 26, 2022

Codecov Report

Merging #175 (aec8cf3) into master (34dc922) will decrease coverage by 0.00%.
The diff coverage is 57.14%.

@@            Coverage Diff             @@
##           master     #175      +/-   ##
==========================================
- Coverage   83.21%   83.20%   -0.01%     
==========================================
  Files          66       66              
  Lines        5569     5572       +3     
==========================================
+ Hits         4634     4636       +2     
- Misses        935      936       +1     
Impacted Files Coverage Δ
koopmans/workflows/_wannierize.py 72.50% <ø> (-0.22%) ⬇️
koopmans/workflows/_folding.py 53.33% <43.75%> (+1.06%) ⬆️
koopmans/__init__.py 100.00% <100.00%> (ø)
koopmans/workflows/_koopmans_dscf.py 86.43% <100.00%> (ø)
koopmans/workflows/_workflow.py 87.24% <100.00%> (+0.06%) ⬆️
koopmans/workflows/_koopmans_dfpt.py 84.97% <0.00%> (-0.58%) ⬇️

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@elinscott elinscott changed the title Minor tweaks to the tutorial docs Changes to tmpdir behaviour; tweaks to the tutorial docs Aug 26, 2022
@elinscott elinscott requested a review from degennar August 26, 2022 13:45
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good for me! Thanks Edward!

@elinscott elinscott merged commit 71ef8e3 into master Sep 16, 2022
@elinscott elinscott deleted the tutorial_2_typo branch September 16, 2022 13:31
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4 participants