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])
