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])