NEBScape structures and pathways

Inspect placement structures, MinHop history, interpolated bands, and NEB results. See also Analyzing NEBScape output.

nebscape_molecule_class

Lightweight view over one row in /Nebscape/molecules.

nebscape_reaction_side_class

Lightweight view over one row in /Nebscape/reaction_sides.

nebscape_reaction_class

Lightweight view over one row in /Nebscape/reactions.

nebscape_prepare_summary_class

Lightweight view over one row in /Nebscape/prepare_summaries.

nebscape_minhop_summary_class

Lightweight view over one row in /Nebscape/minhop_summaries.

nebscape_minhop_accepted_minimum_class

Lightweight view over one row in /Nebscape/minhop_history/accepted_minima.

nebscape_structure_class

Lightweight view over paired rows in /Nebscape/structures.

nebscape_geometry_pair_class

Lightweight view over one row in /Nebscape/geometry_pairs.

nebscape_band_class

Lightweight view over one row in /Nebscape/bands.

nebscape_band_image_class

Lightweight view over one row in /Nebscape/band_images.

nebscape_neb_summary_class

Lightweight view over one row in /Nebscape/neb_info.

nebscape_neb_result_image_class

Lightweight view over one row in /Nebscape/neb_result_images.

nebscape_sella_irc_info_class

Lightweight view over one row in /Nebscape/neb_sella_irc_info.

nebscape_sella_irc_frame_class

Lightweight view over one row in /Nebscape/neb_sella_irc_frames.

nebscape_lib_class

Inspect persisted NEBScape structures, MinHop history, pathways, and outcomes.