get_final_results

soda_lib_class.get_final_results(workflow=None, **kwargs)

Collect available NEBScape bands and optional refinement outputs.

Parameters:

  • workflow (str, optional) – 'nebscape' is the only supported workflow. Default: None uses this library’s workflow. Specify it for mixed files.

  • **kwargs (keyword arguments) – reaction_id and band_id filters passed to nebscape_lib_class.get_final_results().

Returns:

dict – workflow is 'nebscape'. bands bundles each NEB summary, optimized images, and separate optional Sella/IRC status and frames. See nebscape_lib_class.get_final_results().

Raises:

  • ValueError – The workflow is unsupported, ambiguous, or absent from the file.

  • TypeError – Unsupported keyword arguments are supplied.

Notes

Returns saved results, including partial runs and unsuccessful outcomes; it does not certify completion or convergence. Keep this library open while using returned views.

For EZGA, use ezga_lib_class.get_latest_complete_commit() to select a saved generation, then inspect its population and structures. Saving a complete generation does not establish search convergence.

For APE and AKMC, inspect state_list and read_process_product_states() directly. Use read_environmentlib() for APE environment queries and read_dynamics() for AKMC transitions. The full AKMC trajectory, including times and rates, is available as h5["dynamics_table"][()].reshape(-1).