aiida_quantumespresso.calculations.open_grid

Contents

`aiida_quantumespresso.calculations.open_grid`#

CalcJob implementation for the open_grid.x code of Quantum ESPRESSO.

Module Contents#

Classes#

OpenGridCalculation

CalcJob implementation for the open_grid.x code of Quantum ESPRESSO.

class aiida_quantumespresso.calculations.open_grid.OpenGridCalculation(*args, **kwargs)[source]#

Bases: aiida_quantumespresso.calculations.namelists.NamelistsCalculation

CalcJob implementation for the open_grid.x code of Quantum ESPRESSO.

_default_namelists = ['INPUTPP'][source]#

_blocked_keywords = [('INPUTPP', 'outdir'), ('INPUTPP', 'prefix'), ('INPUTPP', 'overwrite_prefix', True)][source]#

_default_parser = 'quantumespresso.open_grid'[source]#

classmethod define(spec)[source]#: Define the process specification.