#include <CPropertyExtractor.h>

Public Member Functions
	CPropertyExtractor (ChebyshevSolver *cSolver, int numCoefficients, int energyResolution, bool useGPUToCalculateCoefficients, bool useGPUToGenerateGreensFunctions, bool useLookupTable=true, double lowerBound=-1., double upperBound=1.)

	~CPropertyExtractor ()

std::complex< double > *	calculateGreensFunction (Index to, Index from, ChebyshevSolver::GreensFunctionType type=ChebyshevSolver::GreensFunctionType::Retarded)

std::complex< double > *	calculateGreensFunctions (std::vector< Index > &to, Index from, ChebyshevSolver::GreensFunctionType type=ChebyshevSolver::GreensFunctionType::Retarded)

std::complex< double >	calculateExpectationValue (Index to, Index from)

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

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

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

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

Detailed Description

Experimental class for extracting properties from a ChebyshevSolver.

Constructor & Destructor Documentation

TBTK::CPropertyExtractor::CPropertyExtractor	(	ChebyshevSolver *	cSolver,
		int	numCoefficients,
		int	energyResolution,
		bool	useGPUToCalculateCoefficients,
		bool	useGPUToGenerateGreensFunctions,
		bool	useLookupTable = `true`,
		double	lowerBound = `-1.`,
		double	upperBound = `1.`
	)

Constructor.

TBTK::CPropertyExtractor::~CPropertyExtractor ( )

Destructor.

Member Function Documentation

Property::Density * TBTK::CPropertyExtractor::calculateDensity	(	Index	pattern,
		Index	ranges
	)

!!!Not tested!!! Calculate density.

Parameters

pattern Specifies the index pattern for which to calculate the density. For example, assume that the index scheme is {x, y, z, spin}. {ID_X, 5, 10, IDX_SUM_ALL} will calculate the density for each x along (y,z)=(5,10) by summing over spin. Similarly {ID_X, 5, IDX_Y, IDX_SUM_ALL} will return a two dimensional density for all x and z and y = 5. Note that IDX_X IDX_Y, and IDX_Z refers to the first, second, and third index used by the routine to create a one-, two-, or three-dimensional output, rather than being tied to the x, y, and z used as physical subindices.

ranges Speifies the number of elements for each subindex. Is ignored for indices specified with positive integers in the pattern, but is used to loop from 0 to the value in ranges for IDX_X, IDX_Y, IDX_Z, and IDX_SUM_ALL. Appropriate ranges corresponding to the two pattern examples above are {SIZE_X, 1, 1, NUM_SPINS} and {SIZE_X, 1, SIZE_Z, NUM_SPINS}, respectively.

Returns: A density array with size equal to the number of points included by specified patter-range combination.

complex< double > TBTK::CPropertyExtractor::calculateExpectationValue	(	Index	to,
		Index	from
	)

Calculate expectation value.

complex< double > * TBTK::CPropertyExtractor::calculateGreensFunction	(	Index	to,
		Index	from,
		ChebyshevSolver::GreensFunctionType	type = `ChebyshevSolver::GreensFunctionType::Retarded`
	)

Calculate Green's function.

complex< double > * TBTK::CPropertyExtractor::calculateGreensFunctions	(	std::vector< Index > &	to,
		Index	from,
		ChebyshevSolver::GreensFunctionType	type = `ChebyshevSolver::GreensFunctionType::Retarded`
	)

Calculate Green's function for a range of 'to'-indices.

Property::LDOS * TBTK::CPropertyExtractor::calculateLDOS	(	Index	pattern,
		Index	ranges
	)

!!!Not tested!!!. Calculate local density of states.

Parameters

pattern Specifies the index pattern for which to calculate the LDOS. For example, assume that the index scheme is {x, y, z, spin}. {ID_X, 5, 10, IDX_SUM_ALL} will calculate the LDOS for each x along (y,z)=(5,10) by summing over spin. Similarly {ID_X, 5, IDX_Y, IDX_SUM_ALL} will return a two dimensional LDOS for all x and z and y = 5. Note that IDX_X, IDX_Y, and IDX_Z refers to the first, second, and third index used by the routine to create a one-, two-, or three-dimensional output, rather than being tied to the x, y, and z used as physical subindices.

ranges Speifies the number of elements for each subindex. Is ignored for indices specified with positive integers in the pattern, but is used to loop from 0 to the value in ranges for IDX_X, IDX_Y, IDX_Z, and IDX_SUM_ALL. Appropriate ranges corresponding to the two pattern examples above are {SIZE_X, 1, 1, NUM_SPINS} and {SIZE_X, 1, SIZE_Z, NUM_SPINS}, respectively.

Returns: A density array with size equal to the number of points included by specified patter-range combination.

Property::Magnetization * TBTK::CPropertyExtractor::calculateMagnetization	(	Index	pattern,
		Index	ranges
	)

!!!Not tested!!! Calculate magnetization.

Parameters

pattern Specifies the index pattern for which to calculate the magnetization. For example, assume that the index scheme is {x, y, z, spin}. {ID_X, 5, 10, IDX_SPIN} will calculate the magnetization for each x along (y,z)=(5,10). Similarly {ID_X, 5, IDX_Y, IDX_SPIN} will return a two dimensional magnetiation for all x and z and y = 5. Note that IDX_X, IDX_Y, and IDX_Z refers to the first, second, and third index used by the routine to create a one-, two-, or three-dimensional output, rather than being tied to the x, y, and z used as physical subindices.

ranges Speifies the number of elements for each subindex. Is ignored for indices specified with positive integers in the pattern, but is used to loop from 0 to the value in ranges for IDX_X, IDX_Y, IDX_Z, and IDX_SUM_ALL. Appropriate ranges corresponding to the two pattern examples above are {SIZE_X, 1, 1, NUM_SPINS} and {SIZE_X, 1, SIZE_Z, NUM_SPINS}, respectively.

Returns: A magnetization array with size equal to four times the number of points included by specified patter-range combination. The four entries are
$\left[\begin{array}{cc} 0 & 1\\ 2 & 3 \end{array}\right] = \left[\begin{array}{cc} \langle c_{i\uparrow}^{\dagger}c_{i\uparrow}\rangle & \langle c_{i\uparrow}^{\dagger}c_{i\downarrow}\rangle\\ \langle c_{i\downarrow}^{\dagger}c_{u\uparrow}\rangle & \langle c_{i\downarrow}^{\dagger}c_{i\downarrow}\rangle \end{array}\right].$

Property::SpinPolarizedLDOS * TBTK::CPropertyExtractor::calculateSpinPolarizedLDOS	(	Index	pattern,
		Index	ranges
	)

!!!Not tested!!!. Calculate spin-polarized local density of states.

Parameters

pattern Specifies the index pattern for which to calculate the spin-polarized LDOS. For example, assume that the index scheme is {x, y, z, spin}. {ID_X, 5, 10, IDX_SPIN} will calculate the spin-polarized LDOS for each x along (y,z)=(5,10). Similarly {ID_X, 5, IDX_Y, IDX_SPIN} will return a two dimensional spin-polarized LDOS for all x and z and y = 5. Note that IDX_X, IDX_Y, and IDX_Z refers to the first, second, and third index used by the routine to create a one-, two-, or three-dimensional output, rather than being tied to the x, y, and z used as physical subindices.

ranges Speifies the number of elements for each subindex. Is ignored for indices specified with positive integers in the pattern, but is used to loop from 0 to the value in ranges for IDX_X, IDX_Y, IDX_Z, and IDX_SUM_ALL. Appropriate ranges corresponding to the two pattern examples above are {SIZE_X, 1, 1, NUM_SPINS} and {SIZE_X, 1, SIZE_Z, NUM_SPINS}, respectively.

Returns

A spin-polarized LDOS array with size equal to four times the number of points included by specified patter-range combination. The four entries are

$\left[\begin{array}{cc} 0 & 1\\ 2 & 3 \end{array}\right] = \left[\begin{array}{cc} \rho_{i\uparrow i\uparrow}(E) & \rho_{i\uparrow i\downarrow}(E)\\ \rho_{i\downarrow i\uparrow}(E) & \rho_{i\downarrow i\downarrow}(E)\\ \end{array}\right],$

where

$\rho_{i\sigma i\sigma'}(E) = \sum_{E_n}\langle\Psi_n|c_{i\sigma}^{\dagger}c_{i\sigma'}|\Psi_n\rangle\delta(E - E_n) .$

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

/home/kristofer/TBTK/TBTK/calc/TightBindingLib/include/CPropertyExtractor.h
/home/kristofer/TBTK/TBTK/calc/TightBindingLib/src/CPropertyExtractor.cpp

Public Member Functions

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation