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handle IndexError
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pynta/geometricanalysis.py

Lines changed: 1 addition & 1 deletion
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@@ -2166,7 +2166,7 @@ def validate_TS_geometry(opt_path,reactants,products,sites,site_adjacency,nslab,
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else:
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match_novdW = match
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except (SiteOccupationException,TooManyElectronsException,ValueError):
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except (SiteOccupationException,TooManyElectronsException,ValueError,IndexError):
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return False,False,False,False,[],[]
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#get imaginary frequency motion

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