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Fix MP query (#755)
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src/atomate2/common/jobs/utils.py

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Original file line numberDiff line numberDiff line change
@@ -112,12 +112,12 @@ def retrieve_structure_from_materials_project(
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with MPRester() as mpr:
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if use_task_id:
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doc = mpr.tasks.get_data_by_id(material_id_or_task_id, fields=["structure"])
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doc = mpr.tasks.search(material_id_or_task_id, fields=["structure"])[0]
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task_id = material_id_or_task_id
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else:
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doc = mpr.materials.get_data_by_id(
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doc = mpr.materials.search(
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material_id_or_task_id, fields=["structure", "origins"]
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)
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)[0]
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origins = {prop.name: prop for prop in doc.origins}
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task_id = str(origins["structure"].task_id)
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