Property container for density of states (DOS). More...

#include <DOS.h>

Inheritance diagram for TBTK::Property::DOS:

Public Member Functions
	DOS ()

	DOS (double lowerBound, double upperBound, int resolution)

	DOS (double lowerBound, double upperBound, int resolution, const double *data)

	DOS (const std::string &serialization, Mode mode)

DOS &	operator+= (const DOS &rhs)

DOS	operator+ (const DOS &rhs) const

DOS &	operator-= (const DOS &rhs)

DOS	operator- (const DOS &rhs) const

DOS &	operator*= (const double &rhs)

DOS	operator* (const double &rhs) const

DOS &	operator/= (const double &rhs)

DOS	operator/ (const double &rhs) const

virtual std::string	toString () const

virtual std::string	serialize (Mode mode) const

Public Member Functions inherited from TBTK::Property::EnergyResolvedProperty< double >
	EnergyResolvedProperty ()

	EnergyResolvedProperty (double lowerBound, double upperBound, unsigned int resolution)

	EnergyResolvedProperty (double lowerBound, double upperBound, unsigned int resolution, const double *data)

	EnergyResolvedProperty (const std::vector< int > &ranges, double lowerBound, double upperBound, unsigned int resolution)

	EnergyResolvedProperty (const std::vector< int > &ranges, double lowerBound, double upperBound, unsigned int resolution, const double *data)

	EnergyResolvedProperty (const IndexTree &indexTree, double lowerBound, double upperBound, unsigned int resolution)

	EnergyResolvedProperty (const IndexTree &indexTree, double lowerBound, double upperBound, unsigned int resolution, const double *data)

	EnergyResolvedProperty (EnergyType energyType, const IndexTree &indexTree, int lowerMatsubaraEnergyIndex, int upperMatsubaraEnergtIndex, double fundamentalMatsubaraEnergy)

	EnergyResolvedProperty (EnergyType energyType, const IndexTree &indexTree, int lowerMatsubaraEnergyIndex, int upperMatsubaraEnergtIndex, double fundamentalMatsubaraEnergy, const double *data)

	EnergyResolvedProperty (const std::string &serialization, Serializable::Mode mode)

EnergyType	getEnergyType () const

double	getLowerBound () const

double	getUpperBound () const

unsigned int	getResolution () const

double	getDeltaE () const

double	getEnergy (unsigned int n) const

int	getLowerMatsubaraEnergyIndex () const

int	getUpperMatsubaraEnergyIndex () const

unsigned int	getNumMatsubaraEnergies () const

double	getFundamentalMatsubaraEnergy () const

double	getLowerMatsubaraEnergy () const

double	getUpperMatsubaraEnergy () const

std::complex< double >	getMatsubaraEnergy (unsigned int n) const

unsigned int	getNumEnergies () const

bool	energyWindowsAreEqual (const EnergyResolvedProperty &energyResolvedProperty, double precision=1e-1) const

Public Member Functions inherited from TBTK::Property::AbstractProperty< double >
unsigned int	getBlockSize () const

unsigned int	getSize () const

const std::vector< double > &	getData () const

std::vector< double > &	getDataRW ()

unsigned int	getDimensions () const

std::vector< int >	getRanges () const

int	getOffset (const Index &index) const

const IndexDescriptor &	getIndexDescriptor () const

bool	contains (const Index &index) const

void	reduce (const std::vector< Index > &targetPatterns, const std::vector< Index > &newPatterns)

void	hermitianConjugate ()

std::vector< SparseMatrix< double > >	toSparseMatrices (const Model &model) const

virtual const double &	operator() (const Index &index, unsigned int offset=0) const

virtual double &	operator() (const Index &index, unsigned int offset=0)

double &	operator() (const std::initializer_list< Subindex > &index)

const double &	operator() (const std::initializer_list< Subindex > &index) const

virtual const double &	operator() (unsigned int offset) const

virtual double &	operator() (unsigned int offset)

void	setAllowIndexOutOfBoundsAccess (bool allowIndexOutOfBoundsAccess)

void	setDefaultValue (const double &defaultValue)

void	replaceValues (const double &targetValue, const double &replacementValue)

Public Member Functions inherited from TBTK::Serializable
template<>
std::string	serialize (const bool &data, Mode mode)

template<>
std::string	serialize (const double &data, Mode mode)

template<>
std::string	serialize (const std::complex< double > &data, Mode mode)

template<>
std::string	serialize (const int &data, Mode mode)

template<>
std::string	serialize (const unsigned int &data, Mode mode)

template<>
std::string	serialize (const SpinMatrix &data, Mode mode)

template<>
std::string	serialize (const Statistics &data, Mode mode)

template<>
std::string	serialize (const std::vector< std::complex< double >> &data, Mode mode)

template<>
int	deserialize (const std::string &serialization, Mode mode)

template<>
unsigned int	deserialize (const std::string &serialization, Mode mode)

template<>
double	deserialize (const std::string &serialization, Mode mode)

template<>
std::complex< double >	deserialize (const std::string &serialization, Mode mode)

template<>
SpinMatrix	deserialize (const std::string &serialization, Mode mode)

template<>
Statistics	deserialize (const std::string &serialization, Mode mode)

template<>
std::vector< std::complex< double > >	deserialize (const std::string &serialization, Mode mode)

Friends
DOS	operator* (const double &lhs, const DOS &rhs)

Additional Inherited Members
Public Types inherited from TBTK::Property::EnergyResolvedProperty< double >
enum	EnergyType

Public Types inherited from TBTK::Serializable
enum	Mode { Debug, Binary, XML, JSON }

Static Public Member Functions inherited from TBTK::Serializable
static bool	hasID (const std::string &serialization, Mode mode)

static std::string	getID (const std::string &serialization, Mode mode)

static std::string	extractComponent (const std::string &serialization, const std::string &containerID, const std::string &componentID, const std::string &componentName, Mode mode)

Protected Member Functions inherited from TBTK::Property::EnergyResolvedProperty< double >
EnergyResolvedProperty &	operator+= (const EnergyResolvedProperty &rhs)

EnergyResolvedProperty &	operator-= (const EnergyResolvedProperty &rhs)

EnergyResolvedProperty &	operator*= (const double &rhs)

EnergyResolvedProperty &	operator/= (const double &rhs)

Protected Member Functions inherited from TBTK::Property::AbstractProperty< double >
	AbstractProperty ()

	AbstractProperty (unsigned int blockSize)

	AbstractProperty (unsigned int blockSize, const double *data)

	AbstractProperty (const std::vector< int > &ranges, unsigned int blockSize)

	AbstractProperty (const std::vector< int > &ranges, unsigned int blockSize, const double *data)

	AbstractProperty (const IndexTree &indexTree, unsigned int blockSize)

	AbstractProperty (const IndexTree &indexTree, unsigned int blockSize, const double *data)

	AbstractProperty (const AbstractProperty &abstractProperty)

	AbstractProperty (AbstractProperty &&abstractProperty)

	AbstractProperty (const std::string &serialization, Mode mode)

virtual	~AbstractProperty ()

AbstractProperty &	operator= (const AbstractProperty &abstractProperty)

AbstractProperty &	operator= (AbstractProperty &&abstractProperty)

AbstractProperty &	operator+= (const AbstractProperty &rhs)

AbstractProperty &	operator-= (const AbstractProperty &rhs)

AbstractProperty &	operator*= (const double &rhs)

AbstractProperty &	operator/= (const double &rhs)

Protected Member Functions inherited from TBTK::Property::Property
	Property ()

virtual	~Property ()

Static Protected Member Functions inherited from TBTK::Serializable
static bool	validate (const std::string &serialization, const std::string &id, Mode mode)

static std::string	getContent (const std::string &serialization, Mode mode)

static std::vector< std::string >	split (const std::string &content, Mode mode)

template<typename DataType >
static std::enable_if<!std::is_pointer< DataType >::value, std::string >::type	serialize (const DataType &data, Mode mode)

template<typename DataType >
static std::enable_if< std::is_pointer< DataType >::value, std::string >::type	serialize (const DataType &data, Mode mode)

template<typename DataType >
static DataType	deserialize (const std::string &serialization, Mode mode)

static std::string	extract (const std::string &serialization, Mode mode, std::string component)

Detailed Description

Property container for density of states (DOS).

The DOS is an EnergyResolvedProperty with DataType double.

Conventions

DOS extracted by native PropertyExtractors satisfies the following convention.

The DOS is normalized such that, if it covers the full energy range, it integrates to the Model's basis size. \(\sum_{n}DOS(n)\Delta E\) = basis size.

Example

#include "TBTK/Models/SquareLattice.h"
#include "TBTK/Property/DOS.h"
#include "TBTK/PropertyExtractor/Diagonalizer.h"
#include "TBTK/Smooth.h"
#include "TBTK/Solver/Diagonalizer.h"
#include "TBTK/Streams.h"
#include "TBTK/TBTK.h"
#include "TBTK/Visualization/MatPlotLib/Plotter.h"
using namespace TBTK;
using namespace Visualization::MatPlotLib;
int main(){
    Initialize();
    const unsigned int SIZE_X = 40;
    const unsigned int SIZE_Y = 40;
    double t = 1;
    Model model = Models::SquareLattice({SIZE_X, SIZE_Y}, {0, t});
    model.construct();
    Solver::Diagonalizer solver;
    solver.setModel(model);
    solver.run();
    const double LOWER_BOUND = -5;
    const double UPPER_BOUND = 5;
    const unsigned int RESOLUTION = 200;
    PropertyExtractor::Diagonalizer propertyExtractor(solver);
    propertyExtractor.setEnergyWindow(
        LOWER_BOUND,
        UPPER_BOUND,
        RESOLUTION
    );
    Property::DOS dos = propertyExtractor.calculateDOS();
    Streams::out << dos << "\n";
    Streams::out << "dos(50) = " << dos(50) << "\n";
    double integratedDOS = 0;
    double dE = dos.getDeltaE();
    for(unsigned int n = 0; n < dos.getResolution(); n++)
        integratedDOS += dos(n)*dE;
    Streams::out << "Integrated DOS: " << integratedDOS << "\n";
    const double SMOOTHING_SIGMA = 0.2;
    const unsigned int SMOOTHING_WINDOW = 51;
    dos = Smooth::gaussian(dos, SMOOTHING_SIGMA, SMOOTHING_WINDOW);
    Plotter plotter;
    plotter.plot(dos);
    plotter.save("figures/DOS.png");
}

Output

DOS
    Lower bound: -5 eV (-5 n.u.)
    Upper bound: 5 eV (5 n.u.)
    Resolution: 200
dos(50) = 159.2
Integrated DOS: 1600

Constructor & Destructor Documentation

◆ DOS() [1/4]

TBTK::Property::DOS::DOS ( )

inline

Constructs an uninitialized DOS.

◆ DOS() [2/4]

TBTK::Property::DOS::DOS	(	double	lowerBound,
		double	upperBound,
		int	resolution
	)

Constructs a Density.

Parameters

lowerBound	Lower bound for the energy.
upperBound	Upper bound for the energy.
resolution	Number of points to us for the energy.

◆ DOS() [3/4]

TBTK::Property::DOS::DOS	(	double	lowerBound,
		double	upperBound,
		int	resolution,
		const double *	data
	)

Constructs a Density and initializes it with data.

Parameters

lowerBound	Lower bound for the energy.
upperBound	Upper bound for the energy.
resolution	Number of points to us for the energy.
data	Raw data to initialize the DOS with.

◆ DOS() [4/4]

TBTK::Property::DOS::DOS	(	const std::string &	serialization,
		Mode	mode
	)

Constructor. Constructs the DOS from a serialization string.

Parameters

serialization	Serialization string from which to construct the DOS.
mode	Mode with which the string has been serialized.

Member Function Documentation

◆ operator*()

DOS TBTK::Property::DOS::operator* ( const double & rhs ) const

inline

Multiplication operator.

Parameters

rhs	The right hand side of the equation.

Returns: A new DOS that is the product of the DOS and the right hand side.

◆ operator*=()

DOS & TBTK::Property::DOS::operator*= ( const double & rhs )

inline

Overrides EnergyResolvedProperty::operator*=().

◆ operator+()

DOS TBTK::Property::DOS::operator+ ( const DOS & rhs ) const

inline

Addition operator.

Parameters

rhs	The right hand side of the equation.

Returns: A new DOS that is the sum of this DOS and the right hand side.

◆ operator+=()

DOS & TBTK::Property::DOS::operator+= ( const DOS & rhs )

inline

Overrides EnergyResolvedProperty::operator+=().

◆ operator-()

DOS TBTK::Property::DOS::operator- ( const DOS & rhs ) const

inline

Subtraction operator.

Parameters

rhs	The right hand side of the equation.

Returns: A new DOS that is the difference between this DOS and the right hand side.

◆ operator-=()

DOS & TBTK::Property::DOS::operator-= ( const DOS & rhs )

inline

Overrides EnergyResolvedProperty::operator-=().

◆ operator/()

DOS TBTK::Property::DOS::operator/ ( const double & rhs ) const

inline

Division operator.

Parameters

rhs	The right hand side of the equation.

Returns: A new DOS that is the quotient the DOS and the right hand side.

◆ operator/=()

DOS & TBTK::Property::DOS::operator/= ( const double & rhs )

inline

Overrides EnergyResolvedProperty::operator/=().

◆ serialize()

virtual std::string TBTK::Property::DOS::serialize ( Mode mode ) const

virtual

Overrides AbstractProperty::serialize().

Reimplemented from TBTK::Property::EnergyResolvedProperty< double >.

◆ toString()

virtual std::string TBTK::Property::DOS::toString ( ) const

virtual

Implements Streamable::toString().

Reimplemented from TBTK::Property::AbstractProperty< double >.

Friends And Related Function Documentation

◆ operator*

DOS operator*	(	const double &	lhs,
		const DOS &	rhs
	)

friend

Multiplication operator.

Parameters

lhs	The left hand side of the equation.
rhs	The right hand side of the equation.

Returns: A new DOS that is the product of the left hand side and the DOS.

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

/home/kristofer.bjornson/SecondQuantizationCom/TBTK/Lib/include/TBTK/Property/DOS.h

Public Member Functions

Friends

Additional Inherited Members

Detailed Description

Conventions

Example

Output

Constructor & Destructor Documentation

◆ DOS() [1/4]

◆ DOS() [2/4]

◆ DOS() [3/4]

◆ DOS() [4/4]

Member Function Documentation

◆ operator*()

◆ operator*=()

◆ operator+()

◆ operator+=()

◆ operator-()

◆ operator-=()

◆ operator/()

◆ operator/=()

◆ serialize()

◆ toString()

Friends And Related Function Documentation

◆ operator*