NEBScape structures and pathways¶
Inspect placement structures, MinHop history, interpolated bands, and NEB results. See also Analyzing NEBScape output.
Lightweight view over one row in /Nebscape/molecules. |
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Lightweight view over one row in /Nebscape/reaction_sides. |
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Lightweight view over one row in /Nebscape/reactions. |
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Lightweight view over one row in /Nebscape/prepare_summaries. |
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Lightweight view over one row in /Nebscape/minhop_summaries. |
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Lightweight view over one row in /Nebscape/minhop_history/accepted_minima. |
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Lightweight view over paired rows in /Nebscape/structures. |
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Lightweight view over one row in /Nebscape/geometry_pairs. |
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Lightweight view over one row in /Nebscape/bands. |
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Lightweight view over one row in /Nebscape/band_images. |
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Lightweight view over one row in /Nebscape/neb_info. |
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Lightweight view over one row in /Nebscape/neb_result_images. |
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Lightweight view over one row in /Nebscape/neb_sella_irc_info. |
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Lightweight view over one row in /Nebscape/neb_sella_irc_frames. |
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Inspect persisted NEBScape structures, MinHop history, pathways, and outcomes. |