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Change structure quality scores for materials builder #455

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merged 1 commit into from
Jul 12, 2022

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@munrojm munrojm commented Jul 12, 2022

Change structure quality scores for the materials builder from:

PBESol > R2SCAN > SCAN > GGA+U > GGA

to

R2SCAN > SCAN > GGA+U > GGA > PBESol

@munrojm munrojm added the release:patch Patch updates label Jul 12, 2022
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codecov-commenter commented Jul 12, 2022

Codecov Report

Merging #455 (bed89db) into main (2dde9c6) will decrease coverage by 0.09%.
The diff coverage is n/a.

@@            Coverage Diff             @@
##             main     #455      +/-   ##
==========================================
- Coverage   97.66%   97.56%   -0.10%     
==========================================
  Files         115       91      -24     
  Lines       23862    21805    -2057     
==========================================
- Hits        23305    21275    -2030     
+ Misses        557      530      -27     
Impacted Files Coverage Δ
emmet-core/emmet/core/settings.py 84.72% <ø> (-6.95%) ⬇️
emmet-core/emmet/core/utils.py 57.69% <0.00%> (-32.70%) ⬇️
emmet-core/emmet/core/oxidation_states.py 73.33% <0.00%> (-17.78%) ⬇️
emmet-core/emmet/core/qchem/molecule.py 80.18% <0.00%> (-16.99%) ⬇️
emmet-core/emmet/core/summary.py 80.00% <0.00%> (-10.38%) ⬇️
emmet-core/emmet/core/vasp/calc_types/utils.py 82.45% <0.00%> (-7.02%) ⬇️
emmet-core/emmet/core/molecules/atomic.py 93.15% <0.00%> (-2.74%) ⬇️
emmet-core/emmet/core/mpid.py 94.44% <0.00%> (-1.86%) ⬇️
emmet-core/emmet/core/molecules/bonds.py 80.72% <0.00%> (-1.81%) ⬇️
... and 27 more

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@munrojm munrojm merged commit 7f91961 into main Jul 12, 2022
@munrojm munrojm deleted the bugfix/structure_quality_scores branch July 13, 2022 20:14
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