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handle index error in TS config processing
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pynta/postprocessing.py

Lines changed: 1 addition & 1 deletion
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@@ -1330,7 +1330,7 @@ def get_TS(path,adsorbates_path,metal,facet,slab,sites,site_adjacency,nslab,c_re
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spc.run()
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ts_dict[k] = spc
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except (SiteOccupationException,TooManyElectronsException,ValueError,AtomTypeError):
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except (SiteOccupationException,TooManyElectronsException,ValueError,AtomTypeError,IndexError):
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spc = SurfaceConfiguration(atoms,slab,None,vibdata,os.path.split(path)[1],metal,facet,is_TS=True,sites_per_cell=1,
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c_ref=c_ref,o_ref=o_ref,h_ref=h_ref,n_ref=n_ref,valid=valid,valid_info=vinfo,mol=target_TS)
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