quri_parts.chem.properties package#

EnergyGradientEstimator#

EnergyGradientEstimator represents a function that estimates the energy gradient of a given parametric state w.r.t. the Hamiltonian parameters at given circuit parameters. This is a generic type and you need to specify what kind of state classes it is applicable to.

alias of Callable[[_ParametricStateT, Sequence[float]], Sequence[float]]

create_energy_gradient_estimator(estimator, h_params, h_generator, h_gradient_calculator=<function numerical_operator_gradient>)#

Create a EnergyGradientEstimator that calculates the energy gradients with respect to the hamiltonian parameters at the given circuit parameters.

Parameters:
Return type:

EnergyGradientEstimator[_ParametricStateT]