ElectronicStructureBuilder

class emmet.builders.materials.electronic_structure.ElectronicStructureBuilder(tasks, materials, electronic_structure, bandstructure_fs, dos_fs, chunk_size=10, query=None, **kwargs)

Bases: Builder

prechunk(number_splits)

Prechunk method to perform chunking by the key field

Parameters:

number_splits (int)

get_items()

Gets all items to process

Returns:

generator or list relevant tasks and materials to process

process_item(mat)

Process the band structures and dos data.

Args:

mat (dict): material document

Returns:

(dict): electronic_structure document

update_targets(items)

Inserts electronic structure documents into the electronic_structure collection

Args:

items ([dict]): A list of ElectronicStructureDoc dictionaries to update