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Don't do a hard bandgap==0 check in the r2SCAN workflow #3036

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Merged
merged 2 commits into from
Jun 2, 2023
Merged

Don't do a hard bandgap==0 check in the r2SCAN workflow #3036

merged 2 commits into from
Jun 2, 2023

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Andrew-S-Rosen
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Closes #3023. CC'ing @janosh and @munrojm.

janosh
janosh approved these changes Jun 2, 2023
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Thanks @arosen93! 👍

@janosh janosh enabled auto-merge (squash) June 2, 2023 14:46
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Thanks for adding those unit tests! Greatly appreciated!!

@janosh janosh added enhancement A new feature or improvement to an existing one io Input/output functionality vasp Vienna Ab initio Simulation Package labels Jun 2, 2023
@janosh janosh merged commit be5ca04 into materialsproject:master Jun 2, 2023
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enhancement A new feature or improvement to an existing one io Input/output functionality vasp Vienna Ab initio Simulation Package
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if self.bandgap == 0 is probably not the best in MPScanRelaxSet
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