BlockDiagonalizer.h

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/* 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_PROPERTY_EXTRACTOR_BLOCK_DIAGONALIZER
#define COM_DAFER45_TBTK_PROPERTY_EXTRACTOR_BLOCK_DIAGONALIZER
 
#include "TBTK/Solver/BlockDiagonalizer.h"
#include "TBTK/Property/DOS.h"
#include "TBTK/Property/Density.h"
#include "TBTK/Property/EigenValues.h"
#include "TBTK/Property/GreensFunction.h"
#include "TBTK/Property/LDOS.h"
#include "TBTK/Property/Magnetization.h"
#include "TBTK/Property/SpinPolarizedLDOS.h"
#include "TBTK/Property/WaveFunctions.h"
#include "TBTK/PropertyExtractor/PropertyExtractor.h"
 
#include <complex>
//#include <initializer_list>
 
namespace TBTK{
namespace PropertyExtractor{
 
class BlockDiagonalizer : public PropertyExtractor{
public:
    BlockDiagonalizer(Solver::BlockDiagonalizer &solver);
 
    Property::EigenValues getEigenValues();
 
    double getEigenValue(int state) const;
 
    double getEigenValue(const Index &blockIndex, int state) const;
 
    const std::complex<double> getAmplitude(int state, const Index &index);
 
    const std::complex<double> getAmplitude(
        const Index &blockIndex,
        int state,
        const Index &intraBlockIndex
    ) const;
 
    Property::WaveFunctions calculateWaveFunctions(
        std::vector<Index> patterns,
        std::vector<Subindex> states
    );
 
    Property::GreensFunction calculateGreensFunction(
        std::vector<Index> patterns,
        Property::GreensFunction::Type type
            = Property::GreensFunction::Type::Retarded
    );
 
    virtual Property::DOS calculateDOS();
 
    virtual std::complex<double> calculateExpectationValue(
        Index to,
        Index from
    );
 
    virtual Property::Density calculateDensity(
        std::vector<Index> patterns
    );
 
    virtual Property::Magnetization calculateMagnetization(
        std::vector<Index> patterns
    );
 
    virtual Property::LDOS calculateLDOS(
        std::vector<Index> patterns
    );
 
    virtual Property::SpinPolarizedLDOS calculateSpinPolarizedLDOS(
        std::vector<Index> patterns
    );
 
    virtual double calculateEntropy();
private:
    static void calculateWaveFunctionsCallback(
        PropertyExtractor *cb_this,
        Property::Property &property,
        const Index &index,
        int offset,
        Information &information
    );
 
    static void calculateGreensFunctionCallback(
        PropertyExtractor *cb_this,
        Property::Property &property,
        const Index &index,
        int offset,
        Information &information
    );
 
    static void calculateDensityCallback(
        PropertyExtractor *cb_this,
        Property::Property &property,
        const Index &index,
        int offset,
        Information &information
    );
 
    static void calculateMagnetizationCallback(
        PropertyExtractor *cb_this,
        Property::Property &property,
        const Index &index,
        int offset,
        Information &information
    );
 
    static void calculateLDOSCallback(
        PropertyExtractor *cb_this,
        Property::Property &property,
        const Index &index,
        int offset,
        Information &information
    );
 
    static void calculateSP_LDOSCallback(
        PropertyExtractor *cb_this,
        Property::Property &property,
        const Index &index,
        int offset,
        Information &information
    );
 
    Solver::BlockDiagonalizer &solver;
 
    virtual const Solver::Solver& getSolver() const;
};
 
inline double BlockDiagonalizer::getEigenValue(int state) const{
    return solver.getEigenValue(state);
}
 
inline double BlockDiagonalizer::getEigenValue(
    const Index &blockIndex,
    int state
) const{
    return solver.getEigenValue(blockIndex, state);
}
 
inline const std::complex<double> BlockDiagonalizer::getAmplitude(
    int state,
    const Index &index
){
    return solver.getAmplitude(state, index);
}
 
inline const std::complex<double> BlockDiagonalizer::getAmplitude(
    const Index &blockIndex,
    int state,
    const Index &intraBlockIndex
) const{
    return solver.getAmplitude(blockIndex, state, intraBlockIndex);
}
 
inline const Solver::Solver& BlockDiagonalizer::getSolver() const{
    return solver;
}
 
};  //End of namespace PropertyExtractor
};  //End of namespace TBTK
 
#endif