aiida_yambo_wannier90.calculations package

Submodules

aiida_yambo_wannier90.calculations.gw2wannier90 module

Calculations for gw2wannier90.py.

class aiida_yambo_wannier90.calculations.gw2wannier90.Gw2wannier90Calculation(*args: Any, **kwargs: Any)

Bases: CalcJob

AiiDA calculation plugin wrapping the gw2wannier90.py.

_DEFAULT_INPUT_FOLDER = 'unsorted'

_DEFAULT_OUTPUT_FILE = 'gw2wannier90.out'

_DEFAULT_OUTPUT_SEEDNAME = 'aiida'

__abstractmethods__ = frozenset({})

__module__ = 'aiida_yambo_wannier90.calculations.gw2wannier90'

_abc_impl = <_abc_data object>

classmethod define(spec)

Define inputs and outputs of the calculation.

prepare_for_submission(folder)

Create input files.

Parameters:

folder – an aiida.common.folders.Folder where the plugin should temporarily place all files needed by the calculation.

Returns:

aiida.common.datastructures.CalcInfo instance

Module contents