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Change structure quality scores for materials builder (#455)
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Jason Munro authored Jul 12, 2022
1 parent aa07c1e commit 7f91961
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2 changes: 1 addition & 1 deletion emmet-core/emmet/core/settings.py
Original file line number Diff line number Diff line change
Expand Up @@ -101,7 +101,7 @@ class EmmetSettings(BaseSettings):
)

VASP_STRUCTURE_QUALITY_SCORES: Dict[str, int] = Field(
{"PBESol": 5, "R2SCAN": 4, "SCAN": 3, "GGA+U": 2, "GGA": 1},
{"R2SCAN": 5, "SCAN": 4, "GGA+U": 3, "GGA": 2, "PBESol": 1},
description="Dictionary Mapping VASP calculation run types to rung level for VASP materials builder structure data",
)

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