def set_cell(self, cell):
Cell.__init__(self,
lattice=cell.lattice,
magmoms=cell.get_magnetic_moments(),
masses=cell.get_masses(),
numbers=cell.numbers,
points=cell.get_points())
def set_cell(self, cell):
Cell.__init__(self,
lattice=cell.get_lattice(),
magmoms=cell.get_magnetic_moments(),
masses=cell.get_masses(),
numbers=cell.get_numbers(),
points=cell.get_points())
def _set_vasp_cell(self):
symbols = [self._cell.get_symbols()[i] for i in self._atom_order]
if self._cell.get_magnetic_moments() is not None:
magmoms = self._cell.get_magnetic_moments()[self._atom_order]
else:
magmoms = None
Cell.__init__(self,
lattice=self._cell.lattice,
points=(self._cell.get_points().T)[self._atom_order].T,
symbols=symbols,
magmoms=magmoms,
masses=self._cell.get_masses()[self._atom_order])
