def __init__( self, interaction, symmetry, grid_points=None, temperatures=None, sigmas=None, sigma_cutoff=None, is_isotope=False, mass_variances=None, boundary_mfp=None, # in micrometre use_ave_pp=False, gamma_unit_conversion=None, mesh_divisors=None, coarse_mesh_shifts=None, is_kappa_star=True, gv_delta_q=None, is_full_pp=False, read_pp=False, store_pp=False, pp_filename=None, is_N_U=False, is_gamma_detail=False, log_level=0): self._pp = None self._temperatures = None self._sigmas = None self._sigma_cutoff = None self._is_kappa_star = None self._gv_delta_q = None self._is_full_pp = None self._is_N_U = is_N_U self._is_gamma_detail = is_gamma_detail self._log_level = None self._primitive = None self._dm = None self._frequency_factor_to_THz = None self._cutoff_frequency = None self._boundary_mfp = None self._symmetry = None self._point_operations = None self._rotations_cartesian = None self._grid_points = None self._grid_weights = None self._grid_address = None self._read_gamma = False self._read_gamma_iso = False self._frequencies = None self._cv = None self._gv = None self._gv_sum2 = None self._gamma = None self._gamma_iso = None self._gamma_N = None self._gamma_U = None self._gamma_detail_at_q = None self._gamma_unit_conversion = gamma_unit_conversion self._use_ave_pp = use_ave_pp self._use_const_ave_pp = None self._averaged_pp_interaction = None self._num_ignored_phonon_modes = None self._num_sampling_grid_points = None self._mesh = None self._conversion_factor = None self._is_isotope = None self._isotope = None self._mass_variances = None self._grid_point_count = None Conductivity.__init__(self, interaction, symmetry, grid_points=grid_points, temperatures=temperatures, sigmas=sigmas, sigma_cutoff=sigma_cutoff, is_isotope=is_isotope, mass_variances=mass_variances, mesh_divisors=mesh_divisors, coarse_mesh_shifts=coarse_mesh_shifts, boundary_mfp=boundary_mfp, is_kappa_star=is_kappa_star, gv_delta_q=gv_delta_q, is_full_pp=is_full_pp, log_level=log_level) self._use_const_ave_pp = self._pp.get_constant_averaged_interaction() self._read_pp = read_pp self._store_pp = store_pp self._pp_filename = pp_filename if self._temperatures is not None: self._allocate_values()
def __init__(self, interaction, symmetry, grid_points=None, temperatures=None, sigmas=None, is_isotope=False, mass_variances=None, boundary_mfp=None, # in micrometre is_reducible_collision_matrix=False, is_kappa_star=True, gv_delta_q=None, # finite difference for group veolocity is_full_pp=False, pinv_cutoff=1.0e-8, log_level=0): if sigmas is None: sigmas = [] self._pp = None self._temperatures = None self._sigmas = None self._is_kappa_star = None self._gv_delta_q = None self._is_full_pp = is_full_pp self._log_level = None self._primitive = None self._dm = None self._frequency_factor_to_THz = None self._cutoff_frequency = None self._boundary_mfp = None self._symmetry = None self._point_operations = None self._rotations_cartesian = None self._grid_points = None self._grid_weights = None self._grid_address = None self._ir_grid_points = None self._ir_grid_weights = None self._gamma = None self._read_gamma = False self._read_gamma_iso = False self._frequencies = None self._gv = None self._gamma_iso = None self._averaged_pp_interaction = None self._mesh = None self._coarse_mesh = None self._coarse_mesh_shifts = None self._conversion_factor = None self._is_isotope = None self._isotope = None self._mass_variances = None self._grid_point_count = None self._collision_eigenvalues = None Conductivity.__init__(self, interaction, symmetry, grid_points=grid_points, temperatures=temperatures, sigmas=sigmas, is_isotope=is_isotope, mass_variances=mass_variances, boundary_mfp=boundary_mfp, is_kappa_star=is_kappa_star, gv_delta_q=gv_delta_q, log_level=log_level) self._is_reducible_collision_matrix = is_reducible_collision_matrix if not self._is_kappa_star: self._is_reducible_collision_matrix = True self._collision_matrix = None self._pinv_cutoff = pinv_cutoff if self._temperatures is not None: self._allocate_values()