uf3.representation.bspline.fit_spline_1d

fit_spline_1d(x, y, knot_sequence)

Utility function for fitting spline coefficients to a sampled 1D function.

Useful for comparing fit coefficients against true pair potentials.

Parameters

• x (np.ndarray) – vector of function inputs.

• y (np.ndarray) – vector of corresponding function outputs.

• knot_sequence (np.ndarray) – list of knot positions.

Returns

vector of cubic B-spline coefficients.

Return type

coefficients (np.ndarray)