basic_funcs.cpp File Reference

#include "basic_funcs.h"
#include <iostream>
#include "source_base/formatter.h"
#include "source_base/constants.h"

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Functions
double	maxval_abs_2d (const std::vector< ModuleBase::Vector3< double > > &array)
	Find the maximum absolute value in a 2D array.
std::pair< int, int >	maxloc_abs_2d (const std::vector< ModuleBase::Vector3< double > > &array)
	Find the maximum absolute value in a 2D array and its index.
template<typename T >
T	sum_2d (const std::vector< ModuleBase::Vector3< T > > &array)
	sum of all elements in a 2D array.
template int	sum_2d< int > (const std::vector< ModuleBase::Vector3< int > > &array)
template double	sum_2d< double > (const std::vector< ModuleBase::Vector3< double > > &array)
void	scalar_multiply_2d (const std::vector< ModuleBase::Vector3< double > > &array, double scalar, std::vector< ModuleBase::Vector3< double > > &result)
	scalar multiply a 2D array.
void	add_scalar_multiply_2d (const std::vector< ModuleBase::Vector3< double > > &array_1, const std::vector< ModuleBase::Vector3< double > > &array_2, double scalar, std::vector< ModuleBase::Vector3< double > > &result)
	array_1 + scalar * array_2.
void	subtract_2d (const std::vector< ModuleBase::Vector3< double > > &array_1, const std::vector< ModuleBase::Vector3< double > > &array_2, std::vector< ModuleBase::Vector3< double > > &result)
	array_1 - array_2.
void	fill_scalar_2d (double scalar, std::vector< ModuleBase::Vector3< double > > &result)
	fill a 2D array with a scalar.
void	where_fill_scalar_2d (const std::vector< ModuleBase::Vector3< int > > &array_mask, int mask, double scalar, std::vector< ModuleBase::Vector3< double > > &result)
	fill a 2D array with a scalar if the corresponding element is equal to mask.
void	where_fill_scalar_else_2d (const std::vector< ModuleBase::Vector3< int > > &array_mask, int mask, double scalar, const std::vector< ModuleBase::Vector3< double > > &rest, std::vector< ModuleBase::Vector3< double > > &result)
void	print_2d (const std::string info, const std::vector< ModuleBase::Vector3< double > > &array, const int nspin, const double unit_convert, std::ostream &ofs)

Function Documentation

add_scalar_multiply_2d()

void add_scalar_multiply_2d	(	const std::vector< ModuleBase::Vector3< double > > &	array_1,
		const std::vector< ModuleBase::Vector3< double > > &	array_2,
		double	scalar,
		std::vector< ModuleBase::Vector3< double > > &	result
	)

array_1 + scalar * array_2.

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fill_scalar_2d()

void fill_scalar_2d	(	double	scalar,
		std::vector< ModuleBase::Vector3< double > > &	result
	)

fill a 2D array with a scalar.

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maxloc_abs_2d()

std::pair< int, int > maxloc_abs_2d

(

const std::vector< ModuleBase::Vector3< double > > &

array

)

Find the maximum absolute value in a 2D array and its index.

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maxval_abs_2d()

double maxval_abs_2d

(

const std::vector< ModuleBase::Vector3< double > > &

array

)

Find the maximum absolute value in a 2D array.

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print_2d()

void print_2d	(	const std::string	info,
		const std::vector< ModuleBase::Vector3< double > > &	array,
		const int	nspin,
		const double	unit_convert,
		std::ostream &	ofs
	)

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scalar_multiply_2d()

void scalar_multiply_2d	(	const std::vector< ModuleBase::Vector3< double > > &	array,
		double	scalar,
		std::vector< ModuleBase::Vector3< double > > &	result
	)

scalar multiply a 2D array.

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subtract_2d()

void subtract_2d	(	const std::vector< ModuleBase::Vector3< double > > &	array_1,
		const std::vector< ModuleBase::Vector3< double > > &	array_2,
		std::vector< ModuleBase::Vector3< double > > &	result
	)

array_1 - array_2.

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sum_2d()

template<typename T >

T sum_2d

(

const std::vector< ModuleBase::Vector3< T > > &

array

)

sum of all elements in a 2D array.

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sum_2d< double >()

template double sum_2d< double >

(

const std::vector< ModuleBase::Vector3< double > > &

array

)

sum_2d< int >()

template int sum_2d< int >

(

const std::vector< ModuleBase::Vector3< int > > &

array

)

where_fill_scalar_2d()

void where_fill_scalar_2d	(	const std::vector< ModuleBase::Vector3< int > > &	array_mask,
		int	mask,
		double	scalar,
		std::vector< ModuleBase::Vector3< double > > &	result
	)

fill a 2D array with a scalar if the corresponding element is equal to mask.

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where_fill_scalar_else_2d()

void where_fill_scalar_else_2d	(	const std::vector< ModuleBase::Vector3< int > > &	array_mask,
		int	mask,
		double	scalar,
		const std::vector< ModuleBase::Vector3< double > > &	rest,
		std::vector< ModuleBase::Vector3< double > > &	result
	)

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