def __init__(self, *args, **kwargs): self.method = kwargs.pop('method', 'dipole') RealSpaceDensity.__init__(self, *args, **kwargs) self.lrtddft = None self.index = None self.gsdensity = None self.nbands = None self.wocc_sn = None self.wunocc_sn = None
def __init__(self, calculator): self.calculator = calculator density = calculator.density par = self.calculator.input_parameters RealSpaceDensity.__init__(self, density.gd, density.finegd, 1, 0, stencil=par.stencils[1])
def __init__(self, calculator): self.calculator = calculator dens = calculator.density RealSpaceDensity.__init__(self, dens.gd, dens.finegd, dens.nspins, 0, stencil=dens.stencil, redistributor=dens.redistributor) self.log = calculator.log
def __init__(self, calculator, log=None): self.calculator = calculator dens = calculator.density RealSpaceDensity.__init__(self, dens.gd, dens.finegd, dens.nspins, collinear=True, charge=0.0, stencil=dens.stencil, redistributor=dens.redistributor) self.log = GPAWLogger(world=world) if log is None: self.log.fd = None else: self.log.fd = log
def __init__(self, *args, **kwargs): self.method = kwargs.pop('method', 'dipole') RealSpaceDensity.__init__(self, *args, **kwargs)
def __init__(self, *args, **kwargs): self.method = kwargs.pop('method', 'dipole') RealSpaceDensity.__init__(self, *args, **kwargs)
def __init__(self, calculator): self.calculator = calculator density = calculator.density par = self.calculator.input_parameters RealSpaceDensity.__init__(self, density.gd, density.finegd, 1, 0, stencil=par.stencils[1])