Python interface

Contents:

• Trajectory handling
  • Trajectory
• Correlation functions
  • compute_dynamic_structure_factors()
  • compute_static_structure_factors()
  • compute_spectral_energy_density()
• Sample
  • read_sample_from_npz()
  • DynamicSample
  • StaticSample
• q-points
  • get_spherical_qpoints()
  • get_supercell_qpoints_along_path()
• Post processing
  • ElectronScatteringFactors
  • NeutronScatteringLengths
  • Weights
  • XRayFormFactors
  • fourier_cos_filon()
  • get_sample_averaged_over_independent_runs()
  • get_spherically_averaged_sample_binned()
  • get_spherically_averaged_sample_smearing()
  • get_weighted_sample()
• Tools
  • compute_acf()
  • fermi_dirac()
  • gaussian_decay()
  • smoothing_function()
  • acf_position_dho()
  • acf_velocity_dho()
  • psd_position_dho()
  • psd_velocity_dho()
• Unit conversion
• Logging
  • set_logging_level()