def __init__(self,
system,
method=NickTransiesta(),
path=None,
identifier=None,
parameters=DEFAULT,
):
method = method.copy(solution_method=DIAGONALIZATION)
ElectronicStructure.__init__(self,
path=path,
system=system,
identifier=identifier,
method=method,
parameters=parameters,
)
def __init__(self,
system,
method,
path=None,
electrode_runs=tuple(),
cg_run=tuple(),
identifier=None,
parameters=DEFAULT,
):
self.__electrode_runs = electrode_runs
self.__input_atoms = None
ElectronicStructure.__init__(
self,
system=system,
method=method,
path=path,
identifier=identifier,
parameters=parameters,
inputs=electrode_runs,
)
