Diagonalizer.h

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/* Copyright 2016 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_SOLVER_DIAGONALIZATION
#define COM_DAFER45_TBTK_SOLVER_DIAGONALIZATION
 
#include "TBTK/CArray.h"
#include "TBTK/Communicator.h"
#include "TBTK/Model.h"
#include "TBTK/Solver/Solver.h"
 
#include <complex>
 
namespace TBTK{
namespace Solver{
 
class Diagonalizer : public Solver, public Communicator{
public:
    class SelfConsistencyCallback{
    public:
        virtual bool selfConsistencyCallback(Diagonalizer &diagonalizer) = 0;
    };
 
    Diagonalizer();
 
    void setSelfConsistencyCallback(
        SelfConsistencyCallback &selfConsistencyCallback
    );
 
    void setMaxIterations(int maxIterations);
 
    void run();
 
    const CArray<double>& getEigenValues();
 
    CArray<double>& getEigenValuesRW();
 
    const CArray<std::complex<double>>& getEigenVectors();
 
    CArray<std::complex<double>>& getEigenVectorsRW();
 
    const double getEigenValue(int state);
 
    const std::complex<double> getAmplitude(int state, const Index &index);
private:
    CArray<std::complex<double>> hamiltonian;
 
    CArray<double> eigenValues;
 
    CArray<std::complex<double>> eigenVectors;
 
    CArray<std::complex<double>> basisTransformation;
 
    int maxIterations;
 
    SelfConsistencyCallback *selfConsistencyCallback;
 
    void init();
 
    void update();
 
    void solve();
 
    void setupBasisTransformation();
 
    void transformToOrthonormalBasis();
 
    void transformToOriginalBasis();
};
 
inline void Diagonalizer::setSelfConsistencyCallback(
    SelfConsistencyCallback &selfConsistencyCallback
){
    this->selfConsistencyCallback = &selfConsistencyCallback;
}
 
inline void Diagonalizer::setMaxIterations(int maxIterations){
    this->maxIterations = maxIterations;
}
 
inline const CArray<double>& Diagonalizer::getEigenValues(){
    return eigenValues;
}
 
inline CArray<double>& Diagonalizer::getEigenValuesRW(){
    return eigenValues;
}
 
inline const CArray<std::complex<double>>& Diagonalizer::getEigenVectors(){
    return eigenVectors;
}
 
inline CArray<std::complex<double>>& Diagonalizer::getEigenVectorsRW(){
    return eigenVectors;
}
 
inline const std::complex<double> Diagonalizer::getAmplitude(
    int state,
    const Index &index
){
    const Model &model = getModel();
    return eigenVectors[model.getBasisSize()*state + model.getBasisIndex(index)];
}
 
inline const double Diagonalizer::getEigenValue(int state){
    return eigenValues[state];
}
 
};  //End of namespace Solver
};  //End of namespace TBTK
 
#endif