Пример #1
0
 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,
             )
Пример #2
0
 def __init__(self,
     functional='LDA',
     authors='PZ',
     ):
     LockedParameters.__init__(
             self,
             functional=functional,
             authors=authors,
             )
Пример #3
0
 def __init__(self,
              symbol,
              basis_set=DZP(),
              pseudopotential=None,
              tag=None,
              ghost=False,
              ):
     kwargs = locals()
     kwargs.pop('self')
     LockedParameters.__init__(self, **kwargs)
Пример #4
0
 def __init__(self,
              DM_Tolerance = 1e-4,
              ):
     kwargs = locals()
     kwargs.pop('self')
     LockedParameters.__init__(self, **kwargs)