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kpoint hotfix #173

Merged
merged 2 commits into from
Aug 17, 2022
Merged

kpoint hotfix #173

merged 2 commits into from
Aug 17, 2022

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elinscott
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@elinscott elinscott commented Aug 16, 2022

The hypothesis test suite revealed a bug in v0.7: cell.bandpath().special_points involved re-categorization of the cell because bandpath() has a default tolerance of 2e-4. Decreased this tolerance to 1e-10.

@pep8speaks
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pep8speaks commented Aug 16, 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 2022-08-16 19:53:01 UTC

@elinscott elinscott added the bug Something isn't working label Aug 16, 2022
@elinscott elinscott self-assigned this Aug 16, 2022
@elinscott elinscott added this to the v1.0.0b release milestone Aug 16, 2022
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Codecov Report

Merging #173 (a084ff3) into master (6f0f62f) will decrease coverage by 0.05%.
The diff coverage is 100.00%.

@@            Coverage Diff             @@
##           master     #173      +/-   ##
==========================================
- Coverage   83.30%   83.24%   -0.06%     
==========================================
  Files          66       66              
  Lines        5504     5504              
==========================================
- Hits         4585     4582       -3     
- Misses        919      922       +3     
Impacted Files Coverage Δ
koopmans/__init__.py 100.00% <100.00%> (ø)
koopmans/kpoints.py 84.82% <100.00%> (ø)
koopmans/cell.py 95.29% <0.00%> (-1.77%) ⬇️

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@elinscott elinscott requested a review from degennar August 16, 2022 19:52
@elinscott elinscott merged commit 91ae8a7 into master Aug 17, 2022
@elinscott elinscott deleted the kpoint_hotfix branch August 17, 2022 09:57
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4 participants