update_custodian_handlers

atomate2.common.powerups.update_custodian_handlers(flow, custom_handlers, class_filter)[source]

Update custodian error handlers for VASP jobs in a flow.

This function allows selective configuration of error-correcting handlers for VASP jobs or complete removal of error handlers.

Parameters:

  • flow (Flow) – The jobflow Flow object to modify.

  • custom_handlers (tuple) – Tuple of custodian handler objects to use for error correction. Pass an empty tuple to disable all error handlers.

  • class_filter (type[Maker]) – The Maker class type to which custom custodian handlers should be applied. Only jobs created by this Maker type will be modified.

Returns:

The modified flow with updated custodian handlers.

Return type:

Flow

Examples

>>> from custodian.vasp.handlers import VaspErrorHandler, MeshSymmetryErrorHandler
>>> from atomate2.vasp.flows.core import RelaxBandStructureMaker
>>> flow = RelaxBandStructureMaker().make(structure)
>>> handlers = (VaspErrorHandler(), MeshSymmetryErrorHandler())
>>> flow = update_custodian_handlers(flow, handlers, RelaxBandStructureMaker)