ElectronFluctuationVertexCalculator.h

/* Copyright 2017 Kristofer Björnson
 *
 * Licensed under the Apache License, Version 2.0 (the "License");
 * you may not use this file except in compliance with the License.
 * You may obtain a copy of the License at
 *
 *     http://www.apache.org/licenses/LICENSE-2.0
 *
 * Unless required by applicable law or agreed to in writing, software
 * distributed under the License is distributed on an "AS IS" BASIS,
 * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
 * See the License for the specific language governing permissions and
 * limitations under the License.
 */


#ifndef COM_DAFER45_TBTK_ELECTRON_FLUCTUATION_VERTEX_CALCULATOR
#define COM_DAFER45_TBTK_ELECTRON_FLUCTUATION_VERTEX_CALCULATOR

#include "TBTK/BrillouinZone.h"
#include "TBTK/IndexedDataTree.h"
#include "TBTK/RPA/RPASusceptibilityCalculator.h"

namespace TBTK{

class ElectronFluctuationVertexCalculator{
public:
    ElectronFluctuationVertexCalculator(
        const RPA::MomentumSpaceContext &momentumSpaceContext
    );

    ~ElectronFluctuationVertexCalculator();

    ElectronFluctuationVertexCalculator* createSlave();

    const RPA::MomentumSpaceContext& getMomentumSpaceContext() const;

    enum class EnergyType {Real, Imaginary, Complex};

    void setEnergyType(EnergyType energyType);

    EnergyType getEnergyType() const;

    void setEnergies(
        const std::vector<std::complex<double>> &energies
    );

    void setEnergiesAreInversionSymmetric(
        bool energiesAreInversionSymmetric
    );

    bool getEnergiesAreInversionSymmetric() const;

    std::vector<std::complex<double>> calculateSelfEnergyVertex(
        const std::vector<double> &k,
        const std::vector<int> &orbitalIndices
    );

    void setU(std::complex<double> U);

    void setUp(std::complex<double> Up);

    void setJ(std::complex<double> J);

    void setJp(std::complex<double> Jp);

    void generateInteractionAmplitudes();

    void saveSusceptibilities(const std::string &filename) const;

    void loadSusceptibilities(const std::string &filename);
private:
    RPASusceptibilityCalculator *rpaSusceptibilityCalculator;

    EnergyType energyType;

    std::vector<std::complex<double>> energies;

    bool isInitialized;

    IndexedDataTree<SerializableVector<std::complex<double>>> vertexTree;

    std::complex<double> U, Up, J, Jp;

    std::vector<InteractionAmplitude> u1;
    std::vector<InteractionAmplitude> u2;
    std::vector<InteractionAmplitude> u3;

    bool interactionAmplitudesAreGenerated;

    ElectronFluctuationVertexCalculator(
        RPASusceptibilityCalculator &rpaSusceptibilityCalculator
    );
};

inline const RPA::MomentumSpaceContext& ElectronFluctuationVertexCalculator::getMomentumSpaceContext(
) const{
    return rpaSusceptibilityCalculator->getMomentumSpaceContext();
}

inline void ElectronFluctuationVertexCalculator::setEnergyType(
    EnergyType energyType
){
    this->energyType = energyType;
    switch(energyType){
    case EnergyType::Real:
        rpaSusceptibilityCalculator->setEnergyType(
            RPASusceptibilityCalculator::EnergyType::Real
        );
        break;
    case EnergyType::Imaginary:
        rpaSusceptibilityCalculator->setEnergyType(
            RPASusceptibilityCalculator::EnergyType::Imaginary
        );
        break;
    case EnergyType::Complex:
        rpaSusceptibilityCalculator->setEnergyType(
            RPASusceptibilityCalculator::EnergyType::Complex
        );
        break;
    default:
        TBTKExit(
            "ElectronFluctuationVertexCalculator::setEnergyType()",
            "Unknown energy type.",
            "This should never happen, contact the developer."
        );
    }
}

inline ElectronFluctuationVertexCalculator::EnergyType ElectronFluctuationVertexCalculator::getEnergyType(
) const{
    return energyType;
}

inline void ElectronFluctuationVertexCalculator::setEnergies(
    const std::vector<std::complex<double>> &energies
){
    this->energies = energies;
    vertexTree.clear();

    rpaSusceptibilityCalculator->setEnergies(energies);
}

inline void ElectronFluctuationVertexCalculator::setEnergiesAreInversionSymmetric(
    bool energiesAreInversionSymmetric
){
    rpaSusceptibilityCalculator->setEnergiesAreInversionSymmetric(
        energiesAreInversionSymmetric
    );
}

inline bool ElectronFluctuationVertexCalculator::getEnergiesAreInversionSymmetric(
) const{
    return rpaSusceptibilityCalculator->getEnergiesAreInversionSymmetric();
}

inline void ElectronFluctuationVertexCalculator::setU(std::complex<double> U){
    this->U = U;
    rpaSusceptibilityCalculator->setU(U);
    vertexTree.clear();
    interactionAmplitudesAreGenerated = false;
}

inline void ElectronFluctuationVertexCalculator::setUp(std::complex<double> Up){
    this->Up = Up;
    rpaSusceptibilityCalculator->setUp(Up);
    vertexTree.clear();
    interactionAmplitudesAreGenerated = false;
}

inline void ElectronFluctuationVertexCalculator::setJ(std::complex<double> J){
    this->J = J;
    rpaSusceptibilityCalculator->setJ(J);
    vertexTree.clear();
    interactionAmplitudesAreGenerated = false;
}

inline void ElectronFluctuationVertexCalculator::setJp(std::complex<double> Jp){
    this->Jp = Jp;
    rpaSusceptibilityCalculator->setJp(Jp);
    vertexTree.clear();
    interactionAmplitudesAreGenerated = false;
}

inline void ElectronFluctuationVertexCalculator::saveSusceptibilities(
    const std::string &filename
) const{
    rpaSusceptibilityCalculator->saveSusceptibilities(filename);
}

inline void ElectronFluctuationVertexCalculator::loadSusceptibilities(
    const std::string &filename
){
    rpaSusceptibilityCalculator->loadSusceptibilities(filename);
}

};  //End of namespace TBTK

#endif