pele.landscape.DoubleEndedConnect.returnPath

DoubleEndedConnect.returnPath()[source]

return information about the path

Returns :

mints : list of Minimum and TransitionStates

a list of Minimum, TransitionState, Minimum objects that make up the path

S : list of float

numpy array of the distance along the path. len(S) == len(mints)

energies : list of float

numpy array of the energies along the path

If the minima are not connected, return (None, None, None)

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