get_aligned_fs_relaxation_summaries¶

nebscape_lib_class.get_aligned_fs_relaxation_summaries(relax_job_id=None, aligned_fs_structure_id=None, chosen_fs_structure_id=None, original_fs_structure_id=None)¶

Return final-state relaxation summaries with the chosen-structure flag.

Parameters:

relax_job_id (int, optional) – Identifier of the final-state relaxation job. Default: None.
aligned_fs_structure_id (int, optional) – Identifier of the aligned final-state structure. Default: None.
chosen_fs_structure_id (int, optional) – Identifier of the chosen final-state structure. Default: None.
original_fs_structure_id (int, optional) – Identifier of the original final-state structure. Default: None.

Returns:

list of dict – One dictionary per matching record; an empty list when none match.