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Fix Yb PSP: change Yb_2 to Yb_3 #319

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merged 2 commits into from
May 2, 2023
Merged

Fix Yb PSP: change Yb_2 to Yb_3 #319

merged 2 commits into from
May 2, 2023

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janosh
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@janosh janosh commented May 2, 2023

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codecov bot commented May 2, 2023

Codecov Report

Merging #319 (ac6b1b0) into main (2a995d7) will not change coverage.
The diff coverage is n/a.

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #319   +/-   ##
=======================================
  Coverage   65.90%   65.90%           
=======================================
  Files          73       73           
  Lines        7043     7043           
  Branches      897      897           
=======================================
  Hits         4642     4642           
  Misses       2137     2137           
  Partials      264      264           

@utf
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utf commented May 2, 2023

Thanks!

@utf utf merged commit 3c6f7a5 into main May 2, 2023
@janosh janosh deleted the fix-yb-psp branch May 2, 2023 21:44
@janosh janosh mentioned this pull request May 2, 2023
@Andrew-S-Rosen
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Hi @utf. Whenever you have a chance, could you mint a new version of Atomate2? I want to make sure that anyone who uses Atomate2 with BaseMPGGASet.yaml is actually running MP-compatible POTCARs now that we updated Yb_2 to Yb_3. This will also match the most recent Pymatgen release. Thanks!

@janosh
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janosh commented May 29, 2023

Just as a heads up and in case @arosen93 or @utf would like to weigh in, there's discussion of additional POTCAR changes in materialsproject/pymatgen#3016.

@utf utf added the fix Bug fix PR label Sep 1, 2023
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3 participants