VectorEPA Class Reference

Class used to store a "matrix" of data. More...

#include <vector_epa.h>

Collaboration diagram for VectorEPA:

Public Member Functions
	VectorEPA (StatisticsSweep &statisticsSweep_, const int &numStates_, const int &dimensionality_=3)
	Constructor method, initializes raw buffer data and saves helper variables. More...
	VectorEPA (const VectorEPA &that)
	Copy constructor.
VectorEPA &	operator= (const VectorEPA &that)
	Copy assignment operator.
virtual Eigen::MatrixXd	dot (const VectorEPA &that)
	Computes the scalar product between two BaseVectorBTE objects. More...
VectorEPA	operator* (VectorEPA &that)
	element wise product between two BaseVectorBTE objects x and y. More...
VectorEPA	operator* (const double &scalar)
	Computes the product of a BaseVectorBTE with a scalar, i.e. More...
VectorEPA	operator* (const Eigen::VectorXd &vector)
	Computes the product of a BaseVectorBTE with a vector. More...
VectorEPA	operator* (ParallelMatrix< double > &matrix)
	Computes the product of a BaseVectorBTE with a parallel matrix. More...
VectorEPA	operator+ (VectorEPA &that)
	element wise sum between two BaseVectorBTE objects x and y. More...
VectorEPA	operator- (VectorEPA &that)
	element wise difference between two BaseVectorBTE objects x and y. More...
VectorEPA	operator- ()
	Invert the sign of the BaseVectorBTE content i.e. More...
VectorEPA	operator/ (VectorEPA &that)
	element wise division between two BaseVectorBTE objects x and y. More...
VectorEPA	sqrt ()
	Replace the content of BaseVectorBTE with its square root (element-wise x -> sqrt(x) ).
VectorEPA	reciprocal ()
	Replace the content of BaseVectorBTE with its reciprocal (element-wise x -> 1/x).
void	setConst (const double &constant)
	Set the whole content (raw buffer) of BaseVectorBTE to a scalar value. More...
double &	operator() (const int &iCalc, const int &iDim, const int &iState)
	Get and set operator.
const double &	operator() (const int &iCalc, const int &iDim, const int &iState) const
	Const get and set operator.
int	glob2Loc (const ChemPotIndex &imu, const TempIndex &it, const CartIndex &iDim) const
	glob2Loc and loc2Glob compress/decompress the indices on temperature, chemical potential, and cartesian direction into/from a single index. More...
std::tuple< ChemPotIndex, TempIndex, CartIndex >	loc2Glob (const int &i) const

Public Attributes
Eigen::MatrixXd	data
	raw buffer containing the values of the vector The matrix has size (numCalculations, numStates), where numCalculations is the number of pairs of temperature and chemical potentials, and numStates is the number of Bloch states used in the Boltzmann equation.
StatisticsSweep &	statisticsSweep
int	numCalculations
int	numStates
int	numChemPots
int	numTemps
int	dimensionality
std::vector< int >	excludeIndices
	List of Bloch states to be excluded from the calculation (i.e. More...

Protected Member Functions
VectorEPA	baseOperator (VectorEPA &that, const int &operatorType)
	base class to implement +, -, / and * operations. More...

Protected Attributes
const int	operatorSums = 0
const int	operatorDivs = 1
const int	operatorProd = 2
const int	operatorDiff = 3

Detailed Description

The class member "data" has size data(numCalculations,numStates), where numCalculations is the number of temperatures/chemical potentials, and numStates is specified in input. Used for the EPA electron transport calculation. It is subclassed to a VectorBTE case when numStates is aligned with the Bloch states of the band structure class.

Constructor & Destructor Documentation

VectorEPA()

VectorEPA::VectorEPA	(	StatisticsSweep &	statisticsSweep_,
		const int &	numStates_,
		const int &	dimensionality_ = 3
	)

Parameters

statisticsSweep	saves the info on how many temperatures/chemical potentials we are evaluating.
numStates	saves the number of states on which we compute the vector.
dimensionality	determines the size of the vector on cartesian indices. 1 for scalar quantities like line-widths Gamma(BlochIndices), 3 for vector quantities like phonon populations f(blochIndices,cartesian).

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Member Function Documentation

baseOperator()

VectorEPA VectorEPA::baseOperator ( VectorEPA &  that, const int &  operatorType  )

protected

It's split separately so that subclasses can create the correct output class, and also because operations are rather similar.

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dot()

Eigen::MatrixXd VectorEPA::dot ( const VectorEPA &  that )

virtual

The scalar product of x and y, is defined such as z(iCalc) = sum_i x(iCalc,i) y(iCalc,i), where i is an index over Bloch states, and iCalc is an index over temperatures and chemical potentials.

Parameters

that	the second vector used in the scalar product

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glob2Loc()

int VectorEPA::glob2Loc	(	const ChemPotIndex &	imu,
		const TempIndex &	it,
		const CartIndex &	iDim
	)		const

TODO: these indices, and how they are used elsewhere, is rather messy That's because we have to work both with quantities such as line-widths, which are a scalar over the Bloch states, and phonon populations, which are cartesian vectors over the Bloch states. I should probably create two different classes for these.

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operator*() [1/4]

VectorEPA VectorEPA::operator*

(

const double &

scalar

)

all elements of vectorBTE x -> x * scalar.

Parameters

scalar

a double with the constant factor to be used in the element-wise multiplication.

operator*() [2/4]

VectorEPA VectorEPA::operator*

(

const Eigen::VectorXd &

vector

)

The vector has size equal to the number of calculations (i.e. number of temperatures times the number of chemical potentials) used in the run. Given a calculation index iCalc, the result is an element-wise x(it)*vector(it).

Parameters

vector

a double vector to be used in the product, of size equal to numCalculations.

operator*() [3/4]

VectorEPA VectorEPA::operator*

(

ParallelMatrix< double > &

matrix

)

Only works if the number of temperatures/chemical potentials (numCalculations) is equal to one. At fixed calculation index iCalc, the result is an matrix-vector multiplication x(it,i)*pMatrix(i,j).

Parameters

pMatrix

a parallel distributed double matrix to be used in the product, of size equal to numStates x numStates.

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operator*() [4/4]

VectorEPA VectorEPA::operator*

(

VectorEPA &

that

)

If the dimensionality of the two objects is the same, we compute element-wise result = x*y. If y has dimensionality 1, we compute x(every dim)*y(0), and the result has the dimensionality of x.

Parameters

that	the second BaseVectorBTE object y, such that result = *this*y

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operator+()

VectorEPA VectorEPA::operator+

(

VectorEPA &

that

)

If the dimensionality of the two objects is the same, we compute element-wise result = x+y. If y has dimensionality 1, we compute x(every dim)+y(0), and the result has the dimensionality of x.

Parameters

that	the second BaseVectorBTE object y, such that result = *this+y

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operator-() [1/2]

VectorEPA VectorEPA::operator-

(

)

x -> -x

operator-() [2/2]

VectorEPA VectorEPA::operator-

(

VectorEPA &

that

)

If the dimensionality of the two objects is the same, we compute element-wise result = x-y. If y has dimensionality 1, we compute x(every dim)-y(0), and the result has the dimensionality of x.

Parameters

that	the second BaseVectorBTE object y, such that result = *this-y

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operator/()

VectorEPA VectorEPA::operator/

(

VectorEPA &

that

)

If the dimensionality of the two objects is the same, we compute element-wise result = x/y. If y has dimensionality 1, we compute x(every dim)/y(0), and the result has the dimensionality of x.

Parameters

that	the second BaseVectorBTE object y, such that result = *this/y

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setConst()

void VectorEPA::setConst

(

const double &

constant

)

Parameters

constant

the value to be used in the set.

Member Data Documentation

excludeIndices

std::vector<int> VectorEPA::excludeIndices

for which vectorBTE values are 0), for example, the acoustic modes at the gamma point, whose zero frequencies may cause problems.