Base class for energy resolved Properties. More...

#include <EnergyResolvedProperty.h>

Inheritance diagram for TBTK::Property::EnergyResolvedProperty< DataType >:

Public Types
enum	EnergyType { Real, FermionicMatsubara, BosonicMatsubara }

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

Public Member Functions
	EnergyResolvedProperty ()

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

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

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

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

virtual std::string	serialize (Serializable::Mode mode) const

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

unsigned int	getSize () const

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

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

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

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

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

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

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

virtual DataType &	operator() (unsigned int offset)

void	setAllowIndexOutOfBoundsAccess (bool allowIndexOutOfBoundsAccess)

void	setDefaultValue (const DataType &defaultValue)

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

virtual std::string	toString () const

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)

Protected Member Functions
EnergyResolvedProperty &	operator+= (const EnergyResolvedProperty &rhs)

EnergyResolvedProperty &	operator-= (const EnergyResolvedProperty &rhs)

EnergyResolvedProperty &	operator*= (const DataType &rhs)

EnergyResolvedProperty &	operator/= (const DataType &rhs)

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

	AbstractProperty (unsigned int blockSize)

	AbstractProperty (unsigned int blockSize, const DataType *data)

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

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

	AbstractProperty (const IndexTree &indexTree, unsigned int blockSize)

	AbstractProperty (const IndexTree &indexTree, unsigned int blockSize, const DataType *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 DataType &rhs)

AbstractProperty &	operator/= (const DataType &rhs)

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

virtual	~Property ()

Additional Inherited Members
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)

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

template<typename DataType>
class TBTK::Property::EnergyResolvedProperty< DataType >

Base class for energy resolved Properties.

The EnergyResolvedProperty is a base class for energy dependent Properties. For more information about specific EnergyDependentProperties, see:

Block structure

If the EnergyResolvedProperty has no Index structure, it contains a single block, otherwise it contains one block per Index. Inside of a block, values are stored for a range of energies. See AbstractProperty for more information about blocks.

EnergyType

The EnergyResolvedProperty can have one of three different energy types. Depending on the EnergyType, different member functions are usefull. It is possible to get the EnergyType using

EnergyResolvedProperty<DataType>::EnergyType energyType

= energyResolvedProperty.getEnergyType();

EnergyResolvedProperty<DataType>::EnergyType::Real

The data is stored for a range of real energies on a regular grid of on an interval [lowerBound, upperBound]. It is possible to get the lower and upper bound and the number of points with which the energy grid is resolved using

double lowerBound = energyResolvedProperty.getLowerBound();
double upperBound = energyResolvedProperty.getUpperBound();
unsigned int resolution = energyResolvedProperty.getResolution();

It is also possible to get the distance \(\Delta E\) between neighboring points and the energy for specific points on the grid using

double dE = energyResolvedProperty.getDeltaE();

double E = energyResolvedProperty.getEnergy(n);

EnergyResolvedProperty<DataType>::EnergyType::FermionicMatsubara

EnergyResolvedProperty<DataType>::EnergyType::BosonicMatsubara

Not yet publicly supported.

Member Enumeration Documentation

◆ EnergyType

template<typename DataType >

enum TBTK::Property::EnergyResolvedProperty::EnergyType

strong

Enum class for specifying the energy type.

Constructor & Destructor Documentation

◆ EnergyResolvedProperty() [1/10]

template<typename DataType >

TBTK::Property::EnergyResolvedProperty< DataType >::EnergyResolvedProperty

Constructs an uninitialized EnergyResolvedProperty.

◆ EnergyResolvedProperty() [2/10]

template<typename DataType >

TBTK::Property::EnergyResolvedProperty< DataType >::EnergyResolvedProperty	(	double	lowerBound,
		double	upperBound,
		unsigned int	resolution
	)

Constructs an EnergyResolvedProperty with real energies on the None format. [See AbstractProperty for detailed information about the None format.]

Parameters

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

◆ EnergyResolvedProperty() [3/10]

template<typename DataType >

TBTK::Property::EnergyResolvedProperty< DataType >::EnergyResolvedProperty	(	double	lowerBound,
		double	upperBound,
		unsigned int	resolution,
		const DataType *	data
	)

Constructs an EnergyResolvedProperty with real energies on the None format. [See AbstractProperty for detailed information about the None format.]

Parameters

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

◆ EnergyResolvedProperty() [4/10]

template<typename DataType >

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

Construct an EnergyResolvedProperty with real energies on the Ranges format. [See AbstractProperty for detailed information about the Ranges format.]

Parameters

ranges	A list of upper limits for the ranges of the different dimensions. The nth dimension will have the range [0, ranges[n]).
lowerBound	Lower bound for the energy.
upperBound	Upper bound for the energy.
resolution	Number of points to use for the energy.

◆ EnergyResolvedProperty() [5/10]

template<typename DataType >

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

Construct an EnergyResolvedProperty with real energies on the Ranges format. [See AbstractProperty for detailed information about the Ranges format.]

Parameters

ranges	A list of upper limits for the ranges of the different dimensions. The nth dimension will have the range [0, ranges[n]).
lowerBound	Lower bound for the energy.
upperBound	Upper bound for the energy.
resolution	Number of points to use for the energy.
data	Raw data to initialize the EnergyResolvedProperty with.

◆ EnergyResolvedProperty() [6/10]

template<typename DataType >

TBTK::Property::EnergyResolvedProperty< DataType >::EnergyResolvedProperty	(	const IndexTree &	indexTree,
		double	lowerBound,
		double	upperBound,
		unsigned int	resolution
	)

Constructs an EnergyResolvedProperty with real energies on the Custom format. [See AbstractProperty for detailed information about the Custom format.]

Parameters

indexTree	IndexTree containing the Indices for which the EnergyResolvedProperty should be contained.
lowerBound	Lower bound for the energy.
upperBound	Upper bound for the energy.
resolution	Number of points to use for the energy.

◆ EnergyResolvedProperty() [7/10]

template<typename DataType >

TBTK::Property::EnergyResolvedProperty< DataType >::EnergyResolvedProperty	(	const IndexTree &	indexTree,
		double	lowerBound,
		double	upperBound,
		unsigned int	resolution,
		const DataType *	data
	)

Constructs an EnergyResolvedProperty with real energie on the Custom format and initializes it with data. [See AbstractProperty for detailed information about the Custom format and the raw data format.]

Parameters

indexTree	IndexTree containing the Indices for which the EnergyResolvedProperty should be contained.
lowerBound	Lower bound for the energy.
upperBound	Upper bound for the energy.
resolution	Number of points to use for the energy.
data	Raw data to initialize the EnergyResolvedProperty with.

◆ EnergyResolvedProperty() [8/10]

template<typename DataType >

TBTK::Property::EnergyResolvedProperty< DataType >::EnergyResolvedProperty	(	EnergyType	energyType,
		const IndexTree &	indexTree,
		int	lowerMatsubaraEnergyIndex,
		int	upperMatsubaraEnergtIndex,
		double	fundamentalMatsubaraEnergy
	)

Constructs an EnergyResolvedProperty with Matsubara energies on the Custom format. [See AbstractProperty for detailed information about the Custom format.]

Parameters

indexTree	IndexTree containing the Indices for which the EnergyResolvedProperty should be contained.
lowerBound	Lower bound for the energy.
upperBound	Upper bound for the energy.
resolution	Number of points to use for the energy.

◆ EnergyResolvedProperty() [9/10]

template<typename DataType >

TBTK::Property::EnergyResolvedProperty< DataType >::EnergyResolvedProperty	(	EnergyType	energyType,
		const IndexTree &	indexTree,
		int	lowerMatsubaraEnergyIndex,
		int	upperMatsubaraEnergtIndex,
		double	fundamentalMatsubaraEnergy,
		const DataType *	data
	)

Constructs an EnergyResolvedProperty with Matsubara energies on the Custom format and initializes it with data. [See AbstractProperty for detailed information about the Custom format and the raw data format.]

Parameters

indexTree	IndexTree containing the Indices for which the EnergyResolvedProperty should be contained.
lowerBound	Lower bound for the energy.
upperBound	Upper bound for the energy.
resolution	Number of points to use for the energy.
data	Raw data to initialize the EnergyResolvedProperty with.

◆ EnergyResolvedProperty() [10/10]

template<typename DataType >

TBTK::Property::EnergyResolvedProperty< DataType >::EnergyResolvedProperty	(	const std::string &	serialization,
		Serializable::Mode	mode
	)

Constructor. Constructs the EnergyResolvedProperty from a serialization string.

Parameters

serialization Serialization string from which to construct the EnergyResolvedProperty.

Member Function Documentation

◆ energyWindowsAreEqual()

template<typename DataType >

bool TBTK::Property::EnergyResolvedProperty< DataType >::energyWindowsAreEqual	(	const EnergyResolvedProperty< DataType > &	energyResolvedProperty,
		double	precision = `1e-1`
	)		const

inline

Check whether the energy windows are equal. The energy windows are considered equal if the number of energies are equal and the upper and lower bounds (upper and lower Matsubara frequencies) are the same within a given relative precision.

Parameters

energyResolvedProperty	The EnergyResolvedProperty to compare with.
precision	The required precision with which the bounds must agree. A value of 1 means that the difference between the bounds must be no larger than the difference between two succesive energy points.

Returns: True if the energy windows are equal, otherwise false.

◆ getDeltaE()

template<typename DataType >

double TBTK::Property::EnergyResolvedProperty< DataType >::getDeltaE

inline

Get the step length \(\Delta E\) between neigboring energy indices.

Returns: The energy step length \(\Delta\).

◆ getEnergy()

template<typename DataType >

double TBTK::Property::EnergyResolvedProperty< DataType >::getEnergy ( unsigned int n ) const

inline

Get the nth energy value.

Parameters

n	The energy index to get the energy for.

Returns: The energy for the nth energy index.

◆ getFundamentalMatsubaraEnergy()

template<typename DataType >

double TBTK::Property::EnergyResolvedProperty< DataType >::getFundamentalMatsubaraEnergy

inline

Get the fundamental Matsubara energy E_0 in the expression E = (l + 2*n)*E_0.

◆ getLowerBound()

template<typename DataType >

double TBTK::Property::EnergyResolvedProperty< DataType >::getLowerBound

inline

Get lower bound for the energy.

Returns: Lower bound for the energy.

◆ getLowerMatsubaraEnergy()

template<typename DataType >

double TBTK::Property::EnergyResolvedProperty< DataType >::getLowerMatsubaraEnergy

inline

Get the lower Matsubara energy.

Returns: The lowest Matsubara energy.

◆ getLowerMatsubaraEnergyIndex()

template<typename DataType >

int TBTK::Property::EnergyResolvedProperty< DataType >::getLowerMatsubaraEnergyIndex

inline

Get the lower Matsubara energy index. That is, l in the expression E = (l + 2*n)*E_0.

Returns: The lowest Matsubara energy index.

◆ getMatsubaraEnergy()

template<typename DataType >

std::complex< double > TBTK::Property::EnergyResolvedProperty< DataType >::getMatsubaraEnergy ( unsigned int n ) const

inline

Get the nth Matsubara energy.

◆ getNumEnergies()

template<typename DataType >

unsigned int TBTK::Property::EnergyResolvedProperty< DataType >::getNumEnergies

inline

Get the number of energies. The same as EnergyResolvedProperty::getResolution() for EnergyType::Real and EnergyResolvedProperty::getNumMatsubaraEnergies() for EnergyType::FermionicMatsubara and EnergyTpe::BosnicMatsubara.

Returns: The number of energies.

◆ getNumMatsubaraEnergies()

template<typename DataType >

unsigned int TBTK::Property::EnergyResolvedProperty< DataType >::getNumMatsubaraEnergies

inline

Get the number of Matsubara energies.

Returns: The number of Matsubara energies.

◆ getResolution()

template<typename DataType >

unsigned int TBTK::Property::EnergyResolvedProperty< DataType >::getResolution

inline

Get the energy resolution (number of points used for the energy axis).

Returns: The energy resolution.

◆ getUpperBound()

template<typename DataType >

double TBTK::Property::EnergyResolvedProperty< DataType >::getUpperBound

inline

Get upper bound for the energy.

Returns: Upper bound for the energy.

◆ getUpperMatsubaraEnergy()

template<typename DataType >

double TBTK::Property::EnergyResolvedProperty< DataType >::getUpperMatsubaraEnergy

inline

Get the upper Matsubara energy.

Returns: The highest Matsubara energy.

◆ getUpperMatsubaraEnergyIndex()

template<typename DataType >

int TBTK::Property::EnergyResolvedProperty< DataType >::getUpperMatsubaraEnergyIndex

inline

Get the upper Matsubara energy index. That is, l+N-1, where l is the lowest Matsubara energy index and N is the number of Matsubara energies.

Returns: The largest Matsubara energy index.

◆ operator*=()

template<typename DataType >

EnergyResolvedProperty< DataType > & TBTK::Property::EnergyResolvedProperty< DataType >::operator*= ( const DataType & rhs )

inlineprotected

Overrides AbstractProperty::operator*=().

◆ operator+=()

template<typename DataType >

EnergyResolvedProperty< DataType > & TBTK::Property::EnergyResolvedProperty< DataType >::operator+= ( const EnergyResolvedProperty< DataType > & rhs )

inlineprotected

Overrides AbstractProperty::operator+=().

◆ operator-=()

template<typename DataType >

EnergyResolvedProperty< DataType > & TBTK::Property::EnergyResolvedProperty< DataType >::operator-= ( const EnergyResolvedProperty< DataType > & rhs )

inlineprotected

Overrides AbstractProperty::operator-=().

◆ operator/=()

template<typename DataType >

EnergyResolvedProperty< DataType > & TBTK::Property::EnergyResolvedProperty< DataType >::operator/= ( const DataType & rhs )

inlineprotected

Overrides AbstractProperty::operator/=().

◆ serialize()

template<typename DataType >

std::string TBTK::Property::EnergyResolvedProperty< DataType >::serialize ( Serializable::Mode mode ) const

inlinevirtual

Overrides AbstractProperty::serialize().

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

Reimplemented in TBTK::Property::LDOS, TBTK::Property::DOS, and TBTK::Property::SpinPolarizedLDOS.

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

/TBTK/Lib/include/TBTK/Property/EnergyResolvedProperty.h

Public Types

Public Member Functions

Protected Member Functions

Additional Inherited Members

Detailed Description

template<typename DataType> class TBTK::Property::EnergyResolvedProperty< DataType >

Block structure

EnergyType

EnergyResolvedProperty<DataType>::EnergyType::Real

EnergyResolvedProperty<DataType>::EnergyType::FermionicMatsubara

EnergyResolvedProperty<DataType>::EnergyType::BosonicMatsubara

Member Enumeration Documentation

◆ EnergyType

Constructor & Destructor Documentation

◆ EnergyResolvedProperty() [1/10]

◆ EnergyResolvedProperty() [2/10]

◆ EnergyResolvedProperty() [3/10]

◆ EnergyResolvedProperty() [4/10]

◆ EnergyResolvedProperty() [5/10]

◆ EnergyResolvedProperty() [6/10]

◆ EnergyResolvedProperty() [7/10]

◆ EnergyResolvedProperty() [8/10]

◆ EnergyResolvedProperty() [9/10]

◆ EnergyResolvedProperty() [10/10]

Member Function Documentation

◆ energyWindowsAreEqual()

◆ getDeltaE()

◆ getEnergy()

◆ getFundamentalMatsubaraEnergy()

◆ getLowerBound()

◆ getLowerMatsubaraEnergy()

◆ getLowerMatsubaraEnergyIndex()

◆ getMatsubaraEnergy()

◆ getNumEnergies()

◆ getNumMatsubaraEnergies()

◆ getResolution()

◆ getUpperBound()

◆ getUpperMatsubaraEnergy()

◆ getUpperMatsubaraEnergyIndex()

◆ operator*=()

◆ operator+=()

◆ operator-=()

◆ operator/=()

◆ serialize()

template<typename DataType>
class TBTK::Property::EnergyResolvedProperty< DataType >