Exemplos de dipole_dipole_q0 em Python

Exemplo n.º 1

Arquivo: dynamical_matrix.py Projeto: yw-fang/phonopy

    def _set_c_dipole_dipole_q0(self):
        import phonopy._phonopy as phonoc

        pos = self._pcell.get_positions()
        self._dd_q0 = np.zeros((len(pos), 3, 3),
                               dtype=self._dtype_complex,
                               order='C')

        phonoc.dipole_dipole_q0(self._dd_q0.view(dtype='double'), self._G_list,
                                self._born, self._dielectric,
                                np.array(pos, dtype='double', order='C'),
                                self._Lambda, self._symprec)

Exemplo n.º 2

Arquivo: dynamical_matrix.py Projeto: gcgs1/phonopy

    def _set_c_dipole_dipole_q0(self):
        import phonopy._phonopy as phonoc

        pos = self._pcell.get_positions()
        self._dd_q0 = np.zeros((len(pos), 3, 3),
                               dtype=self._dtype_complex, order='C')

        phonoc.dipole_dipole_q0(self._dd_q0.view(dtype='double'),
                                self._G_list,
                                self._born,
                                self._dielectric,
                                np.array(pos, dtype='double', order='C'),
                                self._Lambda,
                                self._symprec)