aiida_quantumespresso.common.types

Module with common data types.

Module Contents

Classes

ElectronicType	Enumeration to indicate the electronic type of a system.
RelaxType	Enumeration of known relax types.
SpinType	Enumeration to indicate the spin polarization type of a system.
RestartType	Enumeration of ways to restart a calculation in Quantum ESPRESSO.

class aiida_quantumespresso.common.types.ElectronicType(*args, **kwds)

Bases: enum.Enum

Enumeration to indicate the electronic type of a system.

METAL = 'metal'

INSULATOR = 'insulator'

AUTOMATIC = 'automatic'

class aiida_quantumespresso.common.types.RelaxType(*args, **kwds)

Bases: enum.Enum

Enumeration of known relax types.

NONE = 'none'

POSITIONS = 'positions'

VOLUME = 'volume'

SHAPE = 'shape'

CELL = 'cell'

POSITIONS_VOLUME = 'positions_volume'

POSITIONS_SHAPE = 'positions_shape'

POSITIONS_CELL = 'positions_cell'

class aiida_quantumespresso.common.types.SpinType(*args, **kwds)

Bases: enum.Enum

Enumeration to indicate the spin polarization type of a system.

NONE = 'none'

COLLINEAR = 'collinear'

NON_COLLINEAR = 'non_collinear'

SPIN_ORBIT = 'spin_orbit'

class aiida_quantumespresso.common.types.RestartType(*args, **kwds)

Bases: enum.Enum

Enumeration of ways to restart a calculation in Quantum ESPRESSO.

FULL = 'full'

FROM_SCRATCH = 'from_scratch'

FROM_CHARGE_DENSITY = 'from_charge_density'

FROM_WAVE_FUNCTIONS = 'from_wave_functions'