shnitsel.core.postprocess
=========================

.. automodule:: shnitsel.core.postprocess

   
   .. rubric:: Functions

   .. autosummary::
   
      angle
      angle_
      assign_fosc
      broaden_gauss
      calc_ci
      calc_pops
      ci_agg_last_dim
      dcross
      ddot
      default_mol
      dihedral
      dihedral_
      distance
      dnorm
      ds_broaden_gauss
      find_hops
      find_traj_hops
      full_dihedral_
      get_fosc
      get_hop_types
      get_inter_state
      get_per_state
      hop_indices
      keep_norming
      mol_to_numbered_smiles
      norm
      normal
      numbered_smiles_to_mol
      pairwise_dists_pca
      pca_and_hops
      pick_statecombs
      relativize
      set_atom_props
      setup_frames
      subtract_combinations
      sudi
      time_grouped_ci
      to_mol
      to_xyz
      traj_to_xyz
      trajs_with_hops
      ts_to_time
      validate
      xr_calc_ci
   
   .. rubric:: Classes

   .. autosummary::
   
      Converter