Array handler for two containers both of which can be iterated through using begin() and end() member functions, and have a copy constructor. More...

#include <ArrayHandlerIterable.h>

Inheritance diagram for molpro::linalg::array::ArrayHandlerIterable< AL, AR >:

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Collaboration diagram for molpro::linalg::array::ArrayHandlerIterable< AL, AR >:

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Detailed Description

template<typename AL, typename AR = AL>
class molpro::linalg::array::ArrayHandlerIterable< AL, AR >

Array handler for two containers both of which can be iterated through using begin() and end() member functions, and have a copy constructor.

Public Member Functions
	ArrayHandlerIterable ()=default

	ArrayHandlerIterable (const ArrayHandlerIterable< AL, AR > &)=default

AL	copy (const AR &source) override

void	copy (AL &x, const AR &y) override
	Copy content of y into x.

void	scal (value_type alpha, AL &x) override

void	fill (value_type alpha, AL &x) override

void	axpy (value_type alpha, const AR &x, AL &y) override

value_type	dot (const AL &x, const AR &y) override
	The hermitian inner product <x\|y>, i.e. conjugate-linear in x and linear in y.

void	gemm_outer (const Matrix< value_type > alphas, const CVecRef< AR > &xx, const VecRef< AL > &yy) override

Matrix< value_type >	gemm_inner (const CVecRef< AL > &xx, const CVecRef< AR > &yy) override

std::map< size_t, value_type_abs >	select_max_dot (size_t n, const AL &x, const AR &y) override
	Select n indices with largest by absolute value contributions to the dot product.

std::map< size_t, value_type >	select (size_t n, const AL &x, bool max=false, bool ignore_sign=false) override
	Select n indices with largest (or smallest) actual (or absolute) value.

ProxyHandle	lazy_handle () override
	Returns a lazy handle. Most implementations simply need to call the overload: return lazy_handle(*this);.

Public Member Functions inherited from molpro::linalg::array::ArrayHandler< AL, AR >
const Counter &	counter () const

std::string	counter_to_string (std::string L, std::string R)

void	clear_counter ()

virtual	~ArrayHandler ()
	Destroys ArrayHandler instance and invalidates any LazyHandler it created. Invalidated handler will not evaluate.

Protected Member Functions
template<typename T , typename S , typename std::enable_if_t< util::is_array_v< T >, std::nullptr_t > = nullptr>
T	copyAny (const S &source)

template<typename T , typename S , typename std::enable_if_t<!util::is_array_v< T > &&util::is_allocatable_v< T >, int > = 0>
T	copyAny (const S &source)

template<typename T , typename S , typename std::enable_if_t<!util::is_array_v< T > &&!util::is_allocatable_v< T >, int > = 0>
T	copyAny (const S &source)

Protected Member Functions inherited from molpro::linalg::array::ArrayHandler< AL, AR >
	ArrayHandler ()

	ArrayHandler (const ArrayHandler &)=default

virtual void	error (const std::string &message)
	Throws an error.

virtual void	fused_axpy (const std::vector< std::tuple< size_t, size_t, size_t > > &reg, const std::vector< value_type > &alphas, const std::vector< std::reference_wrapper< const AR > > &xx, std::vector< std::reference_wrapper< AL > > &yy)
	Default implementation of fused_axpy without any simplification.

virtual void	fused_dot (const std::vector< std::tuple< size_t, size_t, size_t > > &reg, const std::vector< std::reference_wrapper< const AL > > &xx, const std::vector< std::reference_wrapper< const AR > > &yy, std::vector< std::reference_wrapper< value_type > > &out)
	Default implementation of fused_dot without any simplification.

void	save_handle (const std::shared_ptr< LazyHandle > &handle)
	Save weak ptr to a lazy handle.

ProxyHandle	lazy_handle (ArrayHandler< AL, AR > &handler)

Additional Inherited Members
Public Types inherited from molpro::linalg::array::ArrayHandler< AL, AR >
using	value_type_L = typename array::mapped_or_value_type_t< AL >

using	value_type_R = typename array::mapped_or_value_type_t< AR >

using	value_type = decltype(value_type_L{} *value_type_R{})

using	value_type_abs = decltype(check_abs< value_type >())

Protected Attributes inherited from molpro::linalg::array::ArrayHandler< AL, AR >
std::unique_ptr< Counter >	m_counter

std::vector< std::weak_ptr< LazyHandle > >	m_lazy_handles
	keeps track of all created lazy handles

Constructor & Destructor Documentation

◆ ArrayHandlerIterable() [1/2]

template<typename AL , typename AR = AL>

molpro::linalg::array::ArrayHandlerIterable< AL, AR >::ArrayHandlerIterable ( )

default

◆ ArrayHandlerIterable() [2/2]

template<typename AL , typename AR = AL>

molpro::linalg::array::ArrayHandlerIterable< AL, AR >::ArrayHandlerIterable ( const ArrayHandlerIterable< AL, AR > & )

default

Member Function Documentation

◆ axpy()

template<typename AL , typename AR = AL>

void molpro::linalg::array::ArrayHandlerIterable< AL, AR >::axpy	(	value_type	alpha,
		const AR &	x,
		AL &	y
	)

inlineoverridevirtual

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

◆ copy() [1/2]

template<typename AL , typename AR = AL>

void molpro::linalg::array::ArrayHandlerIterable< AL, AR >::copy	(	AL &	x,
		const AR &	y
	)

inlineoverridevirtual

Copy content of y into x.

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

◆ copy() [2/2]

template<typename AL , typename AR = AL>

AL molpro::linalg::array::ArrayHandlerIterable< AL, AR >::copy ( const AR & source )

inlineoverridevirtual

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

◆ copyAny() [1/3]

template<typename AL , typename AR = AL>

template<typename T , typename S , typename std::enable_if_t< util::is_array_v< T >, std::nullptr_t > = nullptr>

T molpro::linalg::array::ArrayHandlerIterable< AL, AR >::copyAny ( const S & source )

inlineprotected

◆ copyAny() [2/3]

template<typename AL , typename AR = AL>

template<typename T , typename S , typename std::enable_if_t<!util::is_array_v< T > &&util::is_allocatable_v< T >, int > = 0>

T molpro::linalg::array::ArrayHandlerIterable< AL, AR >::copyAny ( const S & source )

inlineprotected

◆ copyAny() [3/3]

template<typename AL , typename AR = AL>

template<typename T , typename S , typename std::enable_if_t<!util::is_array_v< T > &&!util::is_allocatable_v< T >, int > = 0>

T molpro::linalg::array::ArrayHandlerIterable< AL, AR >::copyAny ( const S & source )

inlineprotected

◆ dot()

template<typename AL , typename AR = AL>

value_type molpro::linalg::array::ArrayHandlerIterable< AL, AR >::dot	(	const AL &	x,
		const AR &	y
	)

inlineoverridevirtual

The hermitian inner product <x|y>, i.e. conjugate-linear in x and linear in y.

The real case is selected at compile time and is the plain product this function computed before conjugation was introduced. A release build optimises the conjugating lambda away entirely – the two are within noise of each other at -O3 on both GCC and clang – but at -O0 nothing is inlined and the extra call per element costs slightly over a factor of two on this loop, so the branch is worth the four lines.

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

◆ fill()

template<typename AL , typename AR = AL>

void molpro::linalg::array::ArrayHandlerIterable< AL, AR >::fill	(	value_type	alpha,
		AL &	x
	)

inlineoverridevirtual

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

◆ gemm_inner()

template<typename AL , typename AR = AL>

Matrix< value_type > molpro::linalg::array::ArrayHandlerIterable< AL, AR >::gemm_inner	(	const CVecRef< AL > &	xx,
		const CVecRef< AR > &	yy
	)

inlineoverridevirtual

Perform dot() on multiple pairs of containers in an efficient manner

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

◆ gemm_outer()

template<typename AL , typename AR = AL>

void molpro::linalg::array::ArrayHandlerIterable< AL, AR >::gemm_outer	(	const Matrix< value_type >	alphas,
		const CVecRef< AR > &	xx,
		const VecRef< AL > &	yy
	)

inlineoverridevirtual

Perform axpy() on multiple pairs of containers in an efficient manner

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

◆ lazy_handle()

template<typename AL , typename AR = AL>

ProxyHandle molpro::linalg::array::ArrayHandlerIterable< AL, AR >::lazy_handle ( )

inlineoverridevirtual

Returns a lazy handle. Most implementations simply need to call the overload: return lazy_handle(*this);.

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

◆ scal()

template<typename AL , typename AR = AL>

void molpro::linalg::array::ArrayHandlerIterable< AL, AR >::scal	(	value_type	alpha,
		AL &	x
	)

inlineoverridevirtual

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

◆ select()

template<typename AL , typename AR = AL>

std::map< size_t, value_type > molpro::linalg::array::ArrayHandlerIterable< AL, AR >::select	(	size_t	n,
		const AL &	x,
		bool	max = `false`,
		bool	ignore_sign = `false`
	)

inlineoverridevirtual

Select n indices with largest (or smallest) actual (or absolute) value.

Parameters

n	number of indices to select
x	array to examine
max	If true, select largest values, otherwise smallest
ignore_sign	If true, consider std::abs() of elements

Returns: map of indices and corresponding values

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

◆ select_max_dot()

template<typename AL , typename AR = AL>

std::map< size_t, value_type_abs > molpro::linalg::array::ArrayHandlerIterable< AL, AR >::select_max_dot	(	size_t	n,
		const AL &	x,
		const AR &	y
	)

inlineoverridevirtual

Select n indices with largest by absolute value contributions to the dot product.

This is necessary for perturbation theory.

Parameters

n	number of indices to select
x	left array
y	right array

Returns: map of indices and corresponding x,y product

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

Detailed Description

Public Member Functions

Protected Member Functions

Additional Inherited Members

Constructor & Destructor Documentation

◆ ArrayHandlerIterable() [1/2]

◆ ArrayHandlerIterable() [2/2]

Member Function Documentation

◆ axpy()

◆ copy() [1/2]

◆ copy() [2/2]

◆ copyAny() [1/3]

◆ copyAny() [2/3]

◆ copyAny() [3/3]

◆ dot()

◆ fill()

◆ gemm_inner()

◆ gemm_outer()

◆ lazy_handle()

◆ scal()

◆ select()

◆ select_max_dot()