httk.atomistic.models.protostructure.occupation

An occupied Wyckoff position without coordinates.

Classes

WyckoffOccupation

Store one Wyckoff orbit occupied by one possibly disordered species.

Module Contents

class httk.atomistic.models.protostructure.occupation.WyckoffOccupation[source]

Store one Wyckoff orbit occupied by one possibly disordered species.

Parameters:

  • wyckoff – The Wyckoff letter in the standard setting.

  • species – The real species occupying the orbit.

wyckoff: str[source]
species: httk.atomistic.models.species.species.Species[source]