def __init__(
self,
surface,
name=DEFAULT,
identifiers=tuple(),
added_atoms=DEFAULT,
periodicity=tuple(tuple()),
charge=0,
initial_state=DEFAULT,
parameters=DEFAULT,
):
if added_atoms is DEFAULT:
added_atoms = Atoms([])
self.__identifiers = convertShorthand(identifiers)
surface = surface.copy()
self.__periodicity = np.array(periodicity)
self.__added_atoms = added_atoms.copy()
self.__initial_state = initial_state
self.__charge=charge
API.System.__init__(
self,
name=name,
sub_systems=[surface],
initial_state=initial_state,
parameters=parameters,
)
def initialStateIdentifiers(self, identifiers):
return convertShorthand(identifiers)
def identifiers(self):
return convertShorthand(self.__identifiers)
