def __init__(self, functions='DZP', split_norm=0.5, energy_shift=0.150): LockedParameters.__init__( self, functions=functions, split_norm=split_norm, energy_shift=energy_shift, )
def __init__(self, functional='LDA', authors='PZ', ): LockedParameters.__init__( self, functional=functional, authors=authors, )
def __init__(self, symbol, basis_set=DZP(), pseudopotential=None, tag=None, ghost=False, ): kwargs = locals() kwargs.pop('self') LockedParameters.__init__(self, **kwargs)
def __init__(self, DM_Tolerance = 1e-4, ): kwargs = locals() kwargs.pop('self') LockedParameters.__init__(self, **kwargs)