add_metadata_to_flow¶

atomate2.cp2k.powerups.add_metadata_to_flow(flow, additional_fields, class_filter=BaseCp2kMaker)[source]¶

Return the Cp2k flow with additional field(metadata) to the task doc.

This allows adding metadata to the task-docs, could be useful to query results from DB.

Parameters:

flow (Flow)
additional_fields (dict) – A dict with metadata.
class_filter (.BaseCp2kMaker) – The Maker to which additional metadata needs to be added

Returns:

Flow with added metadata to the task-doc.

Return type:

Flow