Class to read CSR file. More...

#include <csr_reader.h>

Inheritance diagram for ModuleIO::csrFileReader< T >:

Collaboration diagram for ModuleIO::csrFileReader< T >:

Public Member Functions
	csrFileReader (const std::string &filename)

void	parseFile ()

int	getNumberOfR () const

SparseMatrix< T >	getMatrix (int Rx, int Ry, int Rz) const

SparseMatrix< T >	getMatrix (int index) const

std::vector< int >	getRCoordinate (int index) const

int	getStep () const

int	getMatrixDimension () const

Public Member Functions inherited from ModuleIO::FileReader
	FileReader (std::string filename)

	~FileReader ()

bool	isOpen () const

void	readLine ()

void	read_ucell ()

Private Attributes
std::vector< std::vector< int > >	RCoordinates

std::vector< SparseMatrix< T > >	sparse_matrices

int	step

int	matrixDimension

int	numberOfR

Additional Inherited Members
Public Attributes inherited from ModuleIO::FileReader
std::stringstream	ss

Detailed Description

template<typename T>
class ModuleIO::csrFileReader< T >

Class to read CSR file.

This class is used to read CSR file the default format is like:

--- Ionic Step 1 ---
# print density matrix in real space DM(R)
26 # number of localized basis
13 # number of Bravais lattice vector R
 
unitcell_information
 
#--------------------------------------------------------#
#                      CSR format                        #
# Outer loop is the number of Bravais lattice vectors.   #
# First line is Bravais lattice vector index Rx, Ry, Rz, #
# followed by the number of non-zero elements.           #
# Next are three blocks of data.                         #
#--------------------------------------------------------#
 
-1 0 0 507
# CSR values
6.73361941e-04 -3.97537783e-05 7.92408228e-04 ...
# CSR column indices
0 1 2 ...
# CSR row pointers
0 26 52 ...
...

It will store the R coordinates and sparse matrices as two vectors. One can use getter functions to get the R coordinates and sparse matrices, and related info including step, matrix dimension, number of R.

Constructor & Destructor Documentation

◆ csrFileReader()

template<typename T >

ModuleIO::csrFileReader< T >::csrFileReader ( const std::string & filename )

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Member Function Documentation

◆ getMatrix() [1/2]

template<typename T >

SparseMatrix< T > ModuleIO::csrFileReader< T >::getMatrix ( int index ) const

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