atomate2.vasp.powerups

Powerups for performing common modifications on VASP jobs and flows.

Functions

add_metadata_to_flow	Return the VASP flow with additional field(metadata) to the task doc.
update_user_incar_settings	Update the user_incar_settings of any VaspInputGenerators in the flow.
update_user_kpoints_settings	Update the user_kpoints_settings of any VaspInputGenerators in the flow.
update_user_potcar_functional	Update the user_potcar_functional of any VaspInputGenerators in the flow.
update_user_potcar_settings	Update the user_potcar_settings of any VaspInputGenerators in the flow.
update_vasp_custodian_handlers	Return the flow with custom custodian handlers for VASP jobs.
update_vasp_input_generators	Update any VaspInputGenerators or Makers in the flow.
use_auto_ispin	Update the auto_ispin setting of any VaspInputGenerators in the flow.