Exemplo n.º 1
0
 def _run_c_with_frequency_points(self):
     import anharmonic._phono3py as phono3c
     for i, fpoint in enumerate(self._frequency_points):
         phono3c.imag_self_energy(
             self._imag_self_energy[i], self._fc3_normal_squared,
             self._triplets_at_q, self._weights_at_q, self._frequencies,
             fpoint, self._temperature, self._sigma, self._unit_conversion,
             self._cutoff_frequency)
Exemplo n.º 2
0
 def _run_c_with_frequency_points(self):
     import anharmonic._phono3py as phono3c
     ise_at_f = np.zeros(self._imag_self_energy.shape[1], dtype='double')
     for i, fpoint in enumerate(self._frequency_points):
         phono3c.imag_self_energy(ise_at_f, self._pp_strength,
                                  self._triplets_at_q, self._weights_at_q,
                                  self._frequencies, fpoint,
                                  self._temperature, self._sigma,
                                  self._unit_conversion,
                                  self._cutoff_frequency)
         self._imag_self_energy[i] = ise_at_f
Exemplo n.º 3
0
 def _run_c_with_frequency_points(self):
     import anharmonic._phono3py as phono3c
     for i, fpoint in enumerate(self._frequency_points):
         phono3c.imag_self_energy(self._imag_self_energy[i],
                                  self._fc3_normal_squared,
                                  self._triplets_at_q,
                                  self._weights_at_q,
                                  self._frequencies,
                                  fpoint,
                                  self._temperature,
                                  self._sigma,
                                  self._unit_conversion,
                                  self._cutoff_frequency)
Exemplo n.º 4
0
 def _run_c_with_frequency_points(self):
     import anharmonic._phono3py as phono3c
     ise_at_f = np.zeros(self._imag_self_energy.shape[1], dtype='double')
     for i, fpoint in enumerate(self._frequency_points):
         phono3c.imag_self_energy(ise_at_f,
                                  self._pp_strength,
                                  self._triplets_at_q,
                                  self._weights_at_q,
                                  self._frequencies,
                                  fpoint,
                                  self._temperature,
                                  self._sigma,
                                  self._unit_conversion,
                                  self._cutoff_frequency)
         self._imag_self_energy[i] = ise_at_f