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handle TS failures (missing reactants)
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pynta/postprocessing.py

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@@ -1249,6 +1249,9 @@ def get_TS(path,adsorbates_path,metal,facet,slab,sites,site_adjacency,nslab,c_re
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Returns:
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dictionary mapping string index to TS SurfaceConfiguration objects
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"""
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if not os.path.exists(os.path.join(path,"info.json")):
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return dict()
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if allowed_structure_site_structures is None:
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allowed_structure_site_structures = generate_allowed_structure_site_structures(adsorbates_path,sites,
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site_adjacency,nslab,max_dist=np.inf)

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