qiskit.chemistry.drivers.Molecule.relative_bending

classmethod Molecule.relative_bending(bend, geometry, atom_trio)

Parameters

• bend (float) – The magnitude of the perturbation in radians. Positive bend is always in the direction toward Atom3. the direction of increasing the starting angle.**

• geometry (List[Tuple[str, List[float]]]) – The initial geometry to perturb.

• atom_trio (Tuple[int, int, int]) – A tuple with three integers, indexing which atoms from the starting geometry should be bent apart. Atom1 is bent *away* from Atom3 by an angle whose vertex is Atom2 and equal to the initial angle **times bend, while Atom2 and Atom3 remain stationary.**

Return type

List[Tuple[str, List[float]]]

Returns

end geometry