Extracts physical properties from the Solver::BlockDiagonalizer. More...

#include <BlockDiagonalizer.h>

Inheritance diagram for TBTK::PropertyExtractor::BlockDiagonalizer:

Public Member Functions
	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 ()

Public Member Functions inherited from TBTK::PropertyExtractor::PropertyExtractor
	PropertyExtractor ()

virtual	~PropertyExtractor ()

virtual void	setEnergyWindow (double lowerBound, double upperBound, int energyResolution)

virtual void	setEnergyWindow (int lowerFermionicMatsubaraEnergyIndex, int upperFermionicMatsubaraEnergyIndex, int lowerBosonicMatsubaraEnergyIndex, int upperBosonicMatsubaraEnergyIndex)

virtual void	setEnergyInfinitesimal (double energyInfinitesimal)

virtual Property::Density	calculateDensity (Index pattern, Index ranges)

virtual Property::Magnetization	calculateMagnetization (Index pattern, Index ranges)

virtual Property::LDOS	calculateLDOS (Index pattern, Index ranges)

virtual Property::SpinPolarizedLDOS	calculateSpinPolarizedLDOS (Index pattern, Index ranges)

virtual Property::DOS	sampleDOS (unsigned int numSamples, const std::vector< Index > &patterns={}, unsigned int seed=time(nullptr))

Additional Inherited Members
Protected Types inherited from TBTK::PropertyExtractor::PropertyExtractor
enum	EnergyType { Real, Matsubara }

Protected Member Functions inherited from TBTK::PropertyExtractor::PropertyExtractor
EnergyType	getEnergyType () const

int	getEnergyResolution () const

double	getLowerBound () const

double	getUpperBound () const

int	getLowerFermionicMatsubaraEnergyIndex () const

int	getUpperFermionicMatsubaraEnergyIndex () const

int	getLowerBosonicMatsubaraEnergyIndex () const

int	getUpperBosonicMatsubaraEnergyIndex () const

double	getEnergyInfinitesimal () const

template<typename DataType >
void	calculate (void(callback)(PropertyExtractor cb_this, Property::Property &property, const Index &index, int offset, Information &information), Property::AbstractProperty< DataType > &property, Index pattern, const Index &ranges, int currentOffset, int offsetMultiplier, Information &information)

template<typename DataType >
void	calculate (void(callback)(PropertyExtractor cb_this, Property::Property &property, const Index &index, int offset, Information &information), const IndexTree &allIndices, const IndexTree &memoryLayout, Property::AbstractProperty< DataType > &abstractProperty, Information &information)

void	ensureCompliantRanges (const Index &pattern, Index &ranges)

std::vector< int >	getLoopRanges (const Index &pattern, const Index &ranges)

IndexTree	generateIndexTree (std::vector< Index > patterns, const HoppingAmplitudeSet &hoppingAmplitudeSet, bool keepSummationWildcards, bool keepSpinWildcards)

Detailed Description

Extracts physical properties from the Solver::BlockDiagonalizer.

The PropertyExtractor::Diagonalizer extracts Property::AbstractProperty from the Solver::BlockDiagonalizer.

Example

#include "TBTK/Model.h"
#include "TBTK/PropertyExtractor/BlockDiagonalizer.h"
#include "TBTK/Range.h"
#include "TBTK/Smooth.h"
#include "TBTK/Solver/BlockDiagonalizer.h"
#include "TBTK/Streams.h"
#include "TBTK/TBTK.h"
#include "TBTK/Visualization/MatPlotLib/Plotter.h"
 
#include <complex>
#include <cmath>
 
using namespace std;
using namespace TBTK;
using namespace Visualization::MatPlotLib;
 
int main(){
    Initialize();
 
    const int NUM_K_POINTS = 10000;
    double a = 1;
 
    Model model;
    Range K(0, 2*M_PI, NUM_K_POINTS);
    for(int k = 0; k < NUM_K_POINTS; k++)
        model << HoppingAmplitude(cos(K[k]*a), {k, 0}, {k, 1}) + HC;
    model.setChemicalPotential(-0.5);
    model.setTemperature(300);
    model.construct();
 
    Solver::BlockDiagonalizer solver;
    solver.setModel(model);
    solver.run();
 
    const double LOWER_BOUND = -5;
    const double UPPER_BOUND = 5;
    const int RESOLUTION = 200;
    PropertyExtractor::BlockDiagonalizer propertyExtractor(solver);
    propertyExtractor.setEnergyWindow(
        LOWER_BOUND,
        UPPER_BOUND,
        RESOLUTION
    );
 
    Plotter plotter;
    const double SMOOTHING_SIGMA = 0.01;
    const unsigned int SMOOTHING_WINDOW = 51;
 
    Property::DOS dos = propertyExtractor.calculateDOS();
    dos = Smooth::gaussian(dos, SMOOTHING_SIGMA, SMOOTHING_WINDOW);
    Streams::out << dos << "\n";
    plotter.plot(dos);
    plotter.save("figures/DOS.png");
 
    Property::Density density = propertyExtractor.calculateDensity({
        //All k-points, summing over the second subindex.
        {_a_, IDX_SUM_ALL}
    });
    Streams::out << density << "\n";
    plotter.clear();
    plotter.setAxes({{0, {0, 2*M_PI}}});
    plotter.plot({_a_, IDX_SUM_ALL}, density);
    plotter.setLabelX("k");
    plotter.save("figures/Density.png");
}

Output

DOS
    Lower bound: -5 eV (-5 n.u.)
    Upper bound: 5 eV (5 n.u.)
    Resolution: 200
Density
    Number of sites: 10000

Constructor & Destructor Documentation

◆ BlockDiagonalizer()

TBTK::PropertyExtractor::BlockDiagonalizer::BlockDiagonalizer ( Solver::BlockDiagonalizer & solver )

Constructs a PropertyExtractor::BlockDiagonalizer.

Parameters

solver The Solver to use.

Member Function Documentation

◆ calculateDensity()

virtual Property::Density TBTK::PropertyExtractor::BlockDiagonalizer::calculateDensity ( std::vector< Index > patterns )

virtual

Overrides PropertyExtractor::calculateDensity().

Reimplemented from TBTK::PropertyExtractor::PropertyExtractor.

◆ calculateDOS()

virtual Property::DOS TBTK::PropertyExtractor::BlockDiagonalizer::calculateDOS ( )

virtual

Overrides PropertyExtractor::calculateDOS().

Reimplemented from TBTK::PropertyExtractor::PropertyExtractor.

◆ calculateEntropy()

virtual double TBTK::PropertyExtractor::BlockDiagonalizer::calculateEntropy ( )

virtual

Overrider PropertyExtractor::calculateEntropy().

Reimplemented from TBTK::PropertyExtractor::PropertyExtractor.

◆ calculateExpectationValue()

virtual std::complex<double> TBTK::PropertyExtractor::BlockDiagonalizer::calculateExpectationValue	(	Index	to,
		Index	from
	)

virtual

Calculate expectation value.

Reimplemented from TBTK::PropertyExtractor::PropertyExtractor.

◆ calculateGreensFunction()

Property::GreensFunction TBTK::PropertyExtractor::BlockDiagonalizer::calculateGreensFunction	(	std::vector< Index >	patterns,
		Property::GreensFunction::Type	type = `Property::GreensFunction::Type::Retarded`
	)

Calculate the Green's function on the Custom format. [See AbstractProperty for detailed information about the Custom format. See PropertyExtractor for detailed information about the patterns argument.]

Parameters

patterns	The pattern to use.
type	The Green's function type.

Returns: A GreensFunction for the given patterns.

◆ calculateLDOS()

virtual Property::LDOS TBTK::PropertyExtractor::BlockDiagonalizer::calculateLDOS ( std::vector< Index > patterns )

virtual

Overrides PropertyExtractor::calculateLDOS().

Reimplemented from TBTK::PropertyExtractor::PropertyExtractor.

◆ calculateMagnetization()

virtual Property::Magnetization TBTK::PropertyExtractor::BlockDiagonalizer::calculateMagnetization ( std::vector< Index > patterns )

virtual

Overrides PropertyExtractor::calculateMagnetization().

Reimplemented from TBTK::PropertyExtractor::PropertyExtractor.

◆ calculateSpinPolarizedLDOS()

virtual Property::SpinPolarizedLDOS TBTK::PropertyExtractor::BlockDiagonalizer::calculateSpinPolarizedLDOS ( std::vector< Index > patterns )

virtual

Overrides PropertyExtractor::calculateSpinPolarizedLDOS().

Reimplemented from TBTK::PropertyExtractor::PropertyExtractor.

◆ calculateWaveFunctions()

Property::WaveFunctions TBTK::PropertyExtractor::BlockDiagonalizer::calculateWaveFunctions	(	std::vector< Index >	patterns,
		std::vector< Subindex >	states
	)

Calculate the wave function on the Custom format. [See AbstractProperty for detailed information about the Custom format. See PropertyExtractor for detailed information about the patterns argument.]

Parameters

patterns	The pattern to use
states	The states to extract the wave function for. Can be set to {IDX_ALL} to get all states.

Returns: A WaveFunctions object containing the wave functions values for the Indices that satisfies the given patterns and state numbers.

◆ getAmplitude() [1/2]

const std::complex< double > TBTK::PropertyExtractor::BlockDiagonalizer::getAmplitude	(	const Index &	blockIndex,
		int	state,
		const Index &	intraBlockIndex
	)		const

inline

Get amplitude for given eigenvector \(n\), block index \(b\), and physical Index \(x\): \(\Psi_{nb}(\mathbf{x})\).

Parameters

blockIndex	Block Index \(b\).
state	Eigenstate number \(n\) relative to the given block.
index	Physical Index \(x\).

Returns: The amplitude \(\Psi_{nb}(\mathbf{x})\).

◆ getAmplitude() [2/2]

const std::complex< double > TBTK::PropertyExtractor::BlockDiagonalizer::getAmplitude	(	int	state,
		const Index &	index
	)

inline

Get amplitude for given eigenvector \(n\) and physical index \(x\): \(\Psi_{n}(x)\).

Parameters

state	Eigenstate number \(n\)
index	Physical index \(x\).

Returns: The amplitude \(\Psi_{n}(\mathbf{x})\).

◆ getEigenValue() [1/2]

double TBTK::PropertyExtractor::BlockDiagonalizer::getEigenValue	(	const Index &	blockIndex,
		int	state
	)		const

inline

Get eigenvalue. The eigenvalues are ordered in accending order.

Parameters

blockIndex	The block Index to get the eigenvalue for.
state	The intra block state index starting from zero for the lowest eigenvalue in the block.

Returns: The eigenvalue for the given block and state.

◆ getEigenValue() [2/2]

double TBTK::PropertyExtractor::BlockDiagonalizer::getEigenValue ( int state ) const

inline

Get eigenvalue. The eigenvalues are ordered first by block, and then in accending order. This means that eigenvalues for blocks with smaller Indices comes before eigenvalues for blocks with larger Indices , while inside each block the eigenvalues are in accending order.

Parameters

state The state number.

Returns: The eigenvalue for the given state.

◆ getEigenValues()

Property::EigenValues TBTK::PropertyExtractor::BlockDiagonalizer::getEigenValues ( )

Get eigenvalues. The eigenvalues are ordered first by block, and then in accending order. This means that eigenvalues for blocks with smaller Indices comes before eigenvalues for blocks with larger Indices , while inside each block the eigenvalues are in accending order.

Returns: A Property::EigenValues containing all the eigenvalues.

The documentation for this class was generated from the following file:

/TBTK/Lib/include/TBTK/PropertyExtractor/BlockDiagonalizer.h

Public Member Functions

Additional Inherited Members

Detailed Description

Example

Output

Constructor & Destructor Documentation

◆ BlockDiagonalizer()

Member Function Documentation

◆ calculateDensity()

◆ calculateDOS()

◆ calculateEntropy()

◆ calculateExpectationValue()

◆ calculateGreensFunction()

◆ calculateLDOS()

◆ calculateMagnetization()

◆ calculateSpinPolarizedLDOS()

◆ calculateWaveFunctions()

◆ getAmplitude() [1/2]

◆ getAmplitude() [2/2]

◆ getEigenValue() [1/2]

◆ getEigenValue() [2/2]

◆ getEigenValues()