energyobservables2d.h

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/**
 * @file energyobservables2d.h
 * @brief Declares the energyobservables2d physics/numerical component used by QPE experiments.
 * @ingroup qpe_quantum
 *
 * Source: @c core/quantum/energyobservables2d.h. This file is part of Quantum Phenomena Explorer (QPE),
 * maintained by Officina Turini. See LICENSE_IT.txt / LICENSE.txt for the
 * QPE freeware source-available terms and THIRD_PARTY_NOTICES.txt for
 * third-party components.
 */
 
#pragma once
 
#include "core/math/complexfield2d.h"
#include "core/quantum/potentialfield2d.h"
 
namespace qpe {
 
/**
 * @brief Data record containing Energy Observables2D Result.
 *
 * The structure carries computed data without coupling the numerical component to the GUI or renderer.
 */
struct EnergyObservables2DResult
{
    double norm2 = 0.0;
    double kinetic = 0.0;
    double potential = 0.0;
    double total = 0.0;
};
 
// Expectation values of the Hamiltonian in the current state.
//
// Kinetic energy is evaluated in position space using a fourth-order centred
// derivative (periodic indexing, matching the FFT solver domain). This keeps
// the live diagnostic O(N) and avoids adding another FFT to every UI refresh.
// The returned energies are normalized by the current wavefunction norm, so
// they remain interpretable when a CAP has removed part of the probability.
/**
 * @brief Implements the Energy Observables2D component.
 *
 * The class provides one focused service within the QPE architecture and is documented here independently of the experiment-level Help.
 */
class EnergyObservables2D
{
public:
    /**
     * @brief Performs compute.
     * @param field Field data to read or modify.
     * @param potential Potential field used by the operation.
     * @param hbar The hbar value used by the operation.
     * @param mass The mass value used by the operation.
     */
    static EnergyObservables2DResult compute(const ComplexField2D &field,
                                             const PotentialField2D &potential,
                                             double hbar,
                                             double mass);
};
 
} // namespace qpe