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Fix MP query (#755)
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utf committed Feb 29, 2024
1 parent 40512d1 commit ba2bb8a
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions src/atomate2/common/jobs/utils.py
Original file line number Diff line number Diff line change
Expand Up @@ -112,12 +112,12 @@ def retrieve_structure_from_materials_project(

with MPRester() as mpr:
if use_task_id:
doc = mpr.tasks.get_data_by_id(material_id_or_task_id, fields=["structure"])
doc = mpr.tasks.search(material_id_or_task_id, fields=["structure"])[0]
task_id = material_id_or_task_id
else:
doc = mpr.materials.get_data_by_id(
doc = mpr.materials.search(
material_id_or_task_id, fields=["structure", "origins"]
)
)[0]
origins = {prop.name: prop for prop in doc.origins}
task_id = str(origins["structure"].task_id)

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