aiida_quantumespresso.calculations.base

Defines a CalcJob base class for aiida-quantumespresso.

The custom CalcJob base class automatically sets the invalidates_cache attribute of exit codes based on the status integer. All CalcJob implementations in aiida-quantumespresso must use this base class, not aiida.engine.CalcJob.

Module Contents

Classes

CalcJob

Custom CalcJob class for aiida-quantumespresso calculations.

class aiida_quantumespresso.calculations.base.CalcJob(*args, **kwargs)

Bases: aiida.engine.CalcJob

Custom CalcJob class for aiida-quantumespresso calculations.

_spec_class

classmethod define(spec)

Define the process specification.