add_metadata_to_flow

atomate2.common.powerups.add_metadata_to_flow(flow, additional_fields, class_filter)[source]

Return the 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 (.Maker) – The Maker to which additional metadata needs to be added

Returns:

Flow with added metadata to the task-doc.

Return type:

Flow