vibrav.numerical package

Submodules

• vibrav.numerical.boltzmann module
  • boltz_dist()
• vibrav.numerical.degeneracy module
  • energetic_degeneracy()
• vibrav.numerical.derivatives module
  • arb_disps_1d()
  • eight_point_1d()
  • eight_point_2d()
  • four_point_1d()
  • four_point_2d()
  • get_pos_neg_gradients()
  • six_point_1d()
  • six_point_2d()
  • two_point_1d()
  • two_point_2d()
• vibrav.numerical.frequencies module
  • numerical_frequencies()
• vibrav.numerical.phases module
  • correct_phase_angle()
  • get_theta()
  • perform_phase()
  • transform_array_to_df()
• vibrav.numerical.redmass module
  • rmass_cart()
  • rmass_mwc()
• vibrav.numerical.vibronic_func module
  • compute_d_dq()
  • compute_d_dq_sf()
  • sf_to_so()
• vibrav.numerical.vroa_func module
  • backscat()
  • forwscat()
  • make_derivatives()