From e62a1f668e04765bc310147c428a02430043e837 Mon Sep 17 00:00:00 2001 From: Jason Munro Date: Tue, 2 Aug 2022 10:33:04 -0700 Subject: [PATCH] Fix summary to work with new thermo doc (#492) --- emmet-builders/emmet/builders/materials/summary.py | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/emmet-builders/emmet/builders/materials/summary.py b/emmet-builders/emmet/builders/materials/summary.py index 9eaef216bb..017b36ddf2 100644 --- a/emmet-builders/emmet/builders/materials/summary.py +++ b/emmet-builders/emmet/builders/materials/summary.py @@ -116,7 +116,9 @@ def get_items(self): data = { HasProps.materials.value: materials_doc, - HasProps.thermo.value: self.thermo.query_one({self.thermo.key: entry}), + HasProps.thermo.value: self.thermo.query_one( + {self.materials.key: entry, "thermo_type": "GGA_GGA+U"} + ), HasProps.xas.value: list(self.xas.query({self.xas.key: entry})), HasProps.grain_boundaries.value: list( self.grain_boundaries.query({self.grain_boundaries.key: entry}) @@ -141,8 +143,7 @@ def get_items(self): ), HasProps.insertion_electrodes.value: list( self.insertion_electrodes.query( - {"material_ids": entry}, - [self.insertion_electrodes.key], + {"material_ids": entry}, [self.insertion_electrodes.key], ) ), HasProps.surface_properties.value: self.surfaces.query_one(