atomate2.cp2k.powerups

Powerups for performing common modifications on CP2K jobs and flows.

Functions

add_metadata_to_flow	Return the Cp2k flow with additional field(metadata) to the task doc.
update_cp2k_custodian_handlers	Return the flow with custom custodian handlers for Cp2k jobs.
update_user_input_settings	Update the user_cp2k_settings of any Cp2kInputGenerators in the flow.
update_user_kpoints_settings	Update the user_kpoints_settings of any Cp2kInputGenerators in the flow.