ArnoldiIterator.h

/* 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_PROPERTY_EXTRACTOR_ARNOLDI_ITERATOR
#define COM_DAFER45_TBTK_PROPERTY_EXTRACTOR_ARNOLDI_ITERATOR
 
#include "TBTK/Solver/ArnoldiIterator.h"
#include "TBTK/Property/DOS.h"
#include "TBTK/Property/EigenValues.h"
#include "TBTK/Property/GreensFunction.h"
#include "TBTK/Property/LDOS.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 ArnoldiIterator : public PropertyExtractor{
public:
    ArnoldiIterator(Solver::ArnoldiIterator &solver);
 
    Property::EigenValues getEigenValues();
 
    double getEigenValue(int state);
 
    const std::complex<double> getAmplitude(int state, const Index &index);
 
    Property::WaveFunctions calculateWaveFunctions(
        std::vector<Index> patterns,
        std::vector<Subindex> states
    );
 
/*  Property::GreensFunction* calculateGreensFunction(
        Index to,
        Index from,
        Property::GreensFunction::Type type = Property::GreensFunction::Type::Retarded
    );*/
 
    virtual Property::DOS calculateDOS();
 
    virtual Property::LDOS calculateLDOS(
        Index pattern,
        Index ranges
    );
 
    virtual Property::LDOS calculateLDOS(
        std::vector<Index> patterns
    );
 
    virtual Property::SpinPolarizedLDOS calculateSpinPolarizedLDOS(
        Index pattern,
        Index ranges
    );
 
    virtual Property::SpinPolarizedLDOS calculateSpinPolarizedLDOS(
        std::vector<Index> patterns
    );
private:
    static void calculateWaveFunctionsCallback(
        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 calculateSpinPolarizedLDOSCallback(
        PropertyExtractor *cb_this,
        Property::Property &property,
        const Index &index,
        int offset,
        Information &information
    );
 
    Solver::ArnoldiIterator *aSolver;
 
    virtual const Solver::Solver& getSolver() const;
};
 
inline double ArnoldiIterator::getEigenValue(int state){
    return aSolver->getEigenValue(state);
}
 
inline const std::complex<double> ArnoldiIterator::getAmplitude(
    int state,
    const Index &index
){
    return aSolver->getAmplitude(state, index);
}
 
inline const Solver::Solver& ArnoldiIterator::getSolver() const{
    return *aSolver;
}
 
};  //End of namespace PropertyExtractor
};  //End of namespace TBTK
 
#endif