qiskit.chemistry.algorithms.pes_samplers.WindowExtrapolator.extrapolate

WindowExtrapolator.extrapolate(points, param_dict)

Extrapolate at specified point of interest given a set of variational parameters. Based on the specified window, a subset of the data points will be used for extrapolation. A default window of 2 points is used, while a value of zero indicates that all previous points will be used for extrapolation. This method defines the data window before performing the internal extrapolation.

Parameters

• points (List[float]) – List of point(s) to be used for extrapolation. Can represent some degree of freedom, ex, interatomic distance.

• param_dict (Optional[Dict[float, List[float]]]) – Dictionary of variational parameters. Each key is the point and the value is a list of the variational parameters.

Return type

Dict[float, List[float]]

Returns

Dictionary of variational parameters for extrapolated point(s).