export_native_nebscape_format

nebscape_lib_class.export_native_nebscape_format(path='native_nebscape_format')

Export recorded results as a native-style NEBScape analysis folder.

Parameters:

path (str or pathlib.Path, optional) – Destination folder for exported files. Default: 'native_nebscape_format'.

Returns:

dict – Contains written_files, missing_outputs, reaction and adsorbate records, and native_selection_limitations.

Notes

Creates isolated-adsorbate, two-adsorbate, and NEB subdirectories with Extended XYZ files. Existing export files can be replaced. The output supports analysis and selection from persisted structures; it is not a native restart checkpoint and does not include unrecorded MinHop MD frames.