#include <x_space.h>

Inheritance diagram for madness::X_space:

Collaboration diagram for madness::X_space:

Public Member Functions
	X_space ()

	X_space (const X_space &A)

	X_space (World &world, size_t n_states, size_t n_orbitals)

void	clear ()

auto	component_norm2s () const -> Tensor< double >

X_space	copy () const

auto	copy (const std::shared_ptr< WorldDCPmapInterface< Key< 3 > > > &p_map, bool fence=false) const -> X_space

auto	norm2s () const -> Tensor< double >

size_t	num_orbitals () const

size_t	num_states () const

auto	operator+= (const X_space &B) -> X_space &

auto	operator= (const X_space &B) -> X_space &

void	pop_back ()

void	push_back (const vector_real_function_3d &vx, const vector_real_function_3d &vy)

void	reset_active ()

void	set_active (const std::list< size_t > &new_active)

void	truncate ()

void	truncate (double thresh)

Static Public Member Functions
static X_space	zero_functions (World &world, size_t n_states, size_t n_orbitals)

Public Attributes
std::list< size_t >	active

response_space	x

response_space	y

Private Attributes
size_t	n_orbitals

size_t	n_states

Friends
template<typename T >
auto	binary_apply (const X_space &A, const X_space &B, T &func) -> X_space

template<class T >
auto	binary_inplace (X_space &A, const X_space &B, const T &func)

auto	inner (const X_space &A, const X_space &B) -> Tensor< double >
	Computes the matrix elements between two response spaces.

auto	inplace_apply (X_space &A, const std::function< void(vector_real_function_3d &)> &func) -> void

auto	oop_apply (const X_space &A, const std::function< vector_real_function_3d(const vector_real_function_3d &)> &func) -> X_space
	Apply a function to the X_space.

X_space	operator* (const double &b, const X_space &A)

auto	operator* (const Function< double, 3 > &f, const X_space &A) -> X_space

X_space	operator* (const X_space &A, const double &b)

X_space	operator* (const X_space &A, const Function< double, 3 > &f)

auto	operator* (const X_space &A, const Tensor< double > &b) -> X_space

auto	operator+ (const X_space &A, const X_space &B) -> X_space

X_space	operator- (const X_space &A, const X_space &B)

auto	same_size (const X_space &A, const X_space &B) -> bool

auto	size_orbitals (const X_space &x) -> size_t

auto	size_states (const X_space &x) -> size_t

Constructor & Destructor Documentation

◆ X_space() [1/3]

madness::X_space::X_space ( )

inline

Referenced by copy(), copy(), and zero_functions().

◆ X_space() [2/3]

madness::X_space::X_space ( const X_space & A )

inline

◆ X_space() [3/3]

madness::X_space::X_space	(	World &	world,
		size_t	n_states,
		size_t	n_orbitals
	)

inline

References reset_active().

Member Function Documentation

◆ clear()

void madness::X_space::clear ( )

inline

References active, madness::response_space::clear(), x, and y.

◆ component_norm2s()

auto madness::X_space::component_norm2s ( ) const -> Tensor<double>

inline

References n_orbitals, n_states, madness::norm2s_T(), madness::to_flattened_vector(), and x.

◆ copy() [1/2]

X_space madness::X_space::copy ( ) const

inline

References X_space(), active, madness::copy(), x, and y.

◆ copy() [2/2]

auto madness::X_space::copy	(	const std::shared_ptr< WorldDCPmapInterface< Key< 3 > > > &	p_map,
		bool	fence = `false`
	)		const -> X_space

inline

Create a new copy of the function with different distribution and optional fence Works in either basis. Different distributions imply asynchronous communication and the optional fence is collective.

References X_space(), madness::copy(), x, and y.

◆ norm2s()

auto madness::X_space::norm2s ( ) const -> Tensor<double>

inline

References b, madness::WorldGopInterface::fence(), madness::World::gop, madness::norm2(), num_states(), madness::to_response_matrix(), and x.

◆ num_orbitals()

size_t madness::X_space::num_orbitals ( ) const

inline

References n_orbitals.

Referenced by madness::do_vtk_plots(), and push_back().

◆ num_states()

size_t madness::X_space::num_states ( ) const

inline

References n_states.

Referenced by madness::do_vtk_plots(), and norm2s().

◆ operator+=()

auto madness::X_space::operator+= ( const X_space & B ) -> X_space &

inline

References a, b, binary_inplace, madness::gaxpy(), MADNESS_ASSERT, and same_size.

◆ operator=()

auto madness::X_space::operator= ( const X_space & B ) -> X_space &

inline

◆ pop_back()

void madness::X_space::pop_back ( )

inline

References active, n_orbitals, n_states, madness::response_space::pop_back(), x, and y.

◆ push_back()

void madness::X_space::push_back	(	const vector_real_function_3d &	vx,
		const vector_real_function_3d &	vy
	)

inline

References active, MADNESS_ASSERT, n_orbitals, n_states, num_orbitals(), madness::response_space::push_back(), madness::response_space::size(), x, and y.

◆ reset_active()

void madness::X_space::reset_active ( )

inline

References active, and n_states.

Referenced by X_space().

◆ set_active()

void madness::X_space::set_active ( const std::list< size_t > & new_active )

inline

References madness::response_space::active, active, x, and y.

◆ truncate() [1/2]

void madness::X_space::truncate ( )

inline

References inplace_apply, madness::to_response_matrix(), and madness::truncate().

◆ truncate() [2/2]

void madness::X_space::truncate ( double thresh )

inline

References inplace_apply, thresh, madness::to_response_matrix(), and madness::truncate().

◆ zero_functions()

static X_space madness::X_space::zero_functions	(	World &	world,
		size_t	n_states,
		size_t	n_orbitals
	)

inlinestatic

References X_space(), madness::WorldGopInterface::fence(), madness::World::gop, n_orbitals, and n_states.

Referenced by madness::X_vector::X_vector(), ground_exchange(), ground_exchange_multiworld(), molresponseExchange(), and response_exchange_multiworld().

Friends And Related Symbol Documentation

◆ binary_apply

template<typename T >

auto binary_apply	(	const X_space &	A,
		const X_space &	B,
		T &	func
	)		-> X_space

friend

◆ binary_inplace

template<class T >

auto binary_inplace	(	X_space &	A,
		const X_space &	B,
		const T &	func
	)

friend

Referenced by operator+=().

◆ inner

auto inner	(	const X_space &	A,
		const X_space &	B
	)		-> Tensor<double>

friend

Computes the matrix elements between two response spaces.

cij=inner(ai,bj)

Parameters

A
B

Returns: Tensor<double>

◆ inplace_apply

auto inplace_apply	(	X_space &	A,
		const std::function< void(vector_real_function_3d &)> &	func
	)		-> void

friend

Referenced by truncate(), and truncate().

◆ oop_apply

auto oop_apply	(	const X_space &	A,
		const std::function< vector_real_function_3d(const vector_real_function_3d &)> &	func
	)		-> X_space

friend

Apply a function to the X_space.

Parameters

A
func

Returns

◆ operator* [1/5]

X_space operator*	(	const double &	b,
		const X_space &	A
	)

friend

◆ operator* [2/5]

auto operator*	(	const Function< double, 3 > &	f,
		const X_space &	A
	)		-> X_space

friend

◆ operator* [3/5]

X_space operator*	(	const X_space &	A,
		const double &	b
	)

friend

◆ operator* [4/5]

X_space operator*	(	const X_space &	A,
		const Function< double, 3 > &	f
	)

friend

◆ operator* [5/5]

auto operator*	(	const X_space &	A,
		const Tensor< double > &	b
	)		-> X_space

friend

◆ operator+

auto operator+	(	const X_space &	A,
		const X_space &	B
	)		-> X_space

friend

◆ operator-

X_space operator-	(	const X_space &	A,
		const X_space &	B
	)

friend

◆ same_size

auto same_size	(	const X_space &	A,
		const X_space &	B
	)		-> bool

friend

Referenced by operator+=(), and madness::X_vector::operator+=().

◆ size_orbitals

auto size_orbitals ( const X_space & x ) -> size_t

friend

◆ size_states

auto size_states ( const X_space & x ) -> size_t

friend

Member Data Documentation

◆ active

std::list<size_t> madness::X_space::active

Referenced by clear(), copy(), pop_back(), push_back(), reset_active(), and set_active().

◆ n_orbitals

size_t madness::X_space::n_orbitals

private

Referenced by component_norm2s(), num_orbitals(), pop_back(), push_back(), and zero_functions().

◆ n_states

size_t madness::X_space::n_states

private

Referenced by component_norm2s(), num_states(), pop_back(), push_back(), reset_active(), and zero_functions().

◆ x

response_space madness::X_space::x

Referenced by madness::X_vector::X_vector(), clear(), component_norm2s(), copy(), madness::X_vector::copy(), copy(), dipole_generator(), madness::do_vtk_plots(), molresponseExchange(), norm2s(), nuclear_generator(), pop_back(), push_back(), and set_active().

◆ y

response_space madness::X_space::y

Referenced by madness::X_vector::X_vector(), clear(), copy(), madness::X_vector::copy(), copy(), dipole_generator(), madness::do_vtk_plots(), nuclear_generator(), pop_back(), push_back(), and set_active().

The documentation for this struct was generated from the following file:

x_space.h

Public Member Functions

Static Public Member Functions

Public Attributes

Private Attributes

Friends

Constructor & Destructor Documentation

◆ X_space() [1/3]

◆ X_space() [2/3]

◆ X_space() [3/3]

Member Function Documentation

◆ clear()

◆ component_norm2s()

◆ copy() [1/2]

◆ copy() [2/2]

◆ norm2s()

◆ num_orbitals()

◆ num_states()

◆ operator+=()

◆ operator=()

◆ pop_back()

◆ push_back()

◆ reset_active()

◆ set_active()

◆ truncate() [1/2]

◆ truncate() [2/2]

◆ zero_functions()

Friends And Related Symbol Documentation

◆ binary_apply

◆ binary_inplace

◆ inner

◆ inplace_apply

◆ oop_apply

◆ operator* [1/5]

◆ operator* [2/5]

◆ operator* [3/5]

◆ operator* [4/5]

◆ operator* [5/5]

◆ operator+

◆ operator-

◆ same_size

◆ size_orbitals

◆ size_states

Member Data Documentation

◆ active

◆ n_orbitals

◆ n_states

◆ x

◆ y