madness::response_space Struct Reference

#include <response_functions.h>

Public Member Functions
	response_space ()
	default Construct a new response space object num_states(0) num_orbitals(0) x() default constructor of std::vector More...
	response_space (const response_matrix &x)
	Construct a new response space object from vector of functions. More...
	response_space (const response_space &y)
	copy construct a new response space object we are using copying defined by std:vector we copy madness functions therefore we are copying pointers to function implementations More...
	response_space (World &world, size_t num_states, size_t num_orbitals)
	Construct a new response space with zero functions. More...
auto	begin ()
const auto	begin () const
void	clear ()
void	compress_rf ()
response_space	copy () const
response_space	copy (const std::shared_ptr< WorldDCPmapInterface< Key< 3 >>> &pmap, bool fence=false) const
auto	end ()
const auto	end () const
Tensor< double >	norm2 ()
response_space	operator* (const Function< double, 3 > &f)
response_space &	operator*= (double a)
response_space	operator+ (const response_space &rhs_y) const
response_space &	operator+= (const response_space &b)
response_space	operator- (const response_space &rhs_y) const
response_space &	operator= (const response_matrix &y)
response_space &	operator= (const response_space &y)
vector_real_function_3d &	operator[] (size_t i)
const vector_real_function_3d &	operator[] (size_t i) const
void	pop_back ()
void	push_back (const vector_real_function_3d &f)
void	reconstruct_rf ()
void	reset_active ()
void	scale (Tensor< double > &mat)
size_t	size () const
size_t	size_orbitals () const
void	truncate_rf ()
void	truncate_rf (double tol)
void	zero ()

Public Attributes
std::list< size_t >	active
size_t	num_orbitals
size_t	num_states
	vector of vector of real 3d functions More...
response_matrix	x

Friends
auto	binary_apply (const response_space &A, const response_space &B, const std::function< vector_real_function_3d(vector_real_function_3d, vector_real_function_3d)> &func) -> response_space
template<class T >
auto	binary_inplace (response_space &A, const response_space &B, const T &func)
auto	inplace_unary_apply (response_space &A, const std::function< void(vector_real_function_3d &)> &func)
auto	oop_unary_apply (const response_space &A, const std::function< vector_real_function_3d(const vector_real_function_3d &)> &func) -> response_space
response_space	operator* (const Function< double, 3 > &f, const response_space &a)
response_space	operator* (const response_space &a, const Function< double, 3 > &f)
response_space	operator* (const response_space &a, const Tensor< double > &b)
response_space	operator* (const response_space &y, double a)
response_space	operator* (double a, response_space &y)
bool	operator== (const response_space &a, const response_space &y)
Tensor< double >	response_space_inner (const response_space &a, const response_space &b)
bool	same_size (const response_space &a, const response_space &b)

Constructor & Destructor Documentation

response_space() [1/4]

madness::response_space::response_space ( )

inline

default Construct a new response space object num_states(0) num_orbitals(0) x() default constructor of std::vector

response_space() [2/4]

madness::response_space::response_space ( const response_space &  y )

inline

copy construct a new response space object we are using copying defined by std:vector we copy madness functions therefore we are copying pointers to function implementations

Parameters

y

response_space() [3/4]

madness::response_space::response_space ( World &  world, size_t  num_states, size_t  num_orbitals  )

inline

Construct a new response space with zero functions.

Parameters

world
num_states
num_orbitals

References num_orbitals, reset_active(), and x.

response_space() [4/4]

madness::response_space::response_space ( const response_matrix &  x )

inlineexplicit

Construct a new response space object from vector of functions.

Parameters

x

References reset_active().

Member Function Documentation

begin() [1/2]

auto madness::response_space::begin ( )

inline

References x.

begin() [2/2]

const auto madness::response_space::begin ( ) const

inline

References x.

clear()

void madness::response_space::clear ( )

inline

References num_orbitals, num_states, and x.

Referenced by madness::X_space::clear().

compress_rf()

void madness::response_space::compress_rf ( )

inline

References x, and xi.

copy() [1/2]

response_space madness::response_space::copy ( ) const

inline

References madness::WorldGopInterface::fence(), madness::World::gop, transform(), x, and xi.

Referenced by madness::X_vector::copy(), and dipole_generator().

copy() [2/2]

response_space madness::response_space::copy ( const std::shared_ptr< WorldDCPmapInterface< Key< 3 >>> &  pmap, bool  fence = false  ) const

inline

References transform(), x, and xi.

end() [1/2]

auto madness::response_space::end ( )

inline

References x.

end() [2/2]

const auto madness::response_space::end ( ) const

inline

References x.

norm2()

Tensor<double> madness::response_space::norm2 ( )

inline

References madness::norm2(), num_states, and x.

Referenced by q_c().

operator*()

response_space madness::response_space::operator* ( const Function< double, 3 > &  f )

inline

References madness::f, madness::mul(), oop_unary_apply, vi, and x.

operator*=()

response_space& madness::response_space::operator*= ( double  a )

inline

References a, inplace_unary_apply, madness::scale(), and vi.

operator+()

response_space madness::response_space::operator+ ( const response_space &  rhs_y ) const

inline

References binary_apply, madness::gaxpy_oop(), MADNESS_ASSERT, same_size, size(), vi, and xi.

operator+=()

response_space& madness::response_space::operator+= ( const response_space &  b )

inline

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

operator-()

response_space madness::response_space::operator- ( const response_space &  rhs_y ) const

inline

References binary_apply, madness::gaxpy_oop(), MADNESS_ASSERT, same_size, size(), vi, and xi.

operator=() [1/2]

response_space& madness::response_space::operator= ( const response_matrix &  y )

inline

References size().

operator=() [2/2]

response_space& madness::response_space::operator= ( const response_space &  y )

inline

References active, num_states, size(), size_orbitals(), and x.

operator[]() [1/2]

vector_real_function_3d& madness::response_space::operator[] ( size_t  i )

inline

References x.

operator[]() [2/2]

const vector_real_function_3d& madness::response_space::operator[] ( size_t  i ) const

inline

References x.

pop_back()

void madness::response_space::pop_back ( )

inline

References MADNESS_ASSERT, num_orbitals, num_states, and x.

Referenced by madness::X_space::pop_back().

push_back()

void madness::response_space::push_back ( const vector_real_function_3d &  f )

inline

References madness::f, MADNESS_ASSERT, num_orbitals, num_states, and x.

Referenced by madness::apply(), and madness::X_space::push_back().

reconstruct_rf()

void madness::response_space::reconstruct_rf ( )

inline

References x, and xi.

reset_active()

void madness::response_space::reset_active ( )

inline

References active, and num_states.

Referenced by response_space().

scale()

void madness::response_space::scale ( Tensor< double > &  mat )

inline

References num_states, madness::scale(), and x.

size()

size_t madness::response_space::size ( ) const

inline

References num_states.

Referenced by operator+(), operator-(), operator=(), and madness::X_space::push_back().

size_orbitals()

size_t madness::response_space::size_orbitals ( ) const

inline

References num_orbitals.

Referenced by operator=().

truncate_rf() [1/2]

void madness::response_space::truncate_rf ( )

inline

truncate_rf() [2/2]

void madness::response_space::truncate_rf ( double  tol )

inline

References x, and xi.

zero()

void madness::response_space::zero ( )

inline

References x.

Friends And Related Function Documentation

binary_apply

auto binary_apply ( const response_space &  A, const response_space &  B, const std::function< vector_real_function_3d(vector_real_function_3d, vector_real_function_3d)> &  func  ) -> response_space

friend

Referenced by operator+(), and operator-().

binary_inplace

template<class T >

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

friend

Referenced by operator+=().

inplace_unary_apply

auto inplace_unary_apply ( response_space &  A, const std::function< void(vector_real_function_3d &)> &  func  )

friend

Referenced by operator*=().

oop_unary_apply

auto oop_unary_apply ( const response_space &  A, const std::function< vector_real_function_3d(const vector_real_function_3d &)> &  func  ) -> response_space

friend

Referenced by operator*().

operator* [1/5]

response_space operator* ( const Function< double, 3 > &  f, const response_space &  a  )

friend

operator* [2/5]

response_space operator* ( const response_space &  a, const Function< double, 3 > &  f  )

friend

operator* [3/5]

response_space operator* ( const response_space &  a, const Tensor< double > &  b  )

friend

operator* [4/5]

response_space operator* ( const response_space &  y, double  a  )

friend

operator* [5/5]

response_space operator* ( double  a, response_space &  y  )

friend

operator==

bool operator== ( const response_space &  a, const response_space &  y  )

friend

response_space_inner

Tensor<double> response_space_inner ( const response_space &  a, const response_space &  b  )

friend

same_size

bool same_size ( const response_space &  a, const response_space &  b  )

friend

Referenced by operator+(), operator+=(), and operator-().

Member Data Documentation

active

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

Referenced by operator=(), reset_active(), and madness::X_space::set_active().

num_orbitals

size_t madness::response_space::num_orbitals

Referenced by response_space(), clear(), madness::X_vector::copy(), pop_back(), push_back(), and size_orbitals().

num_states

size_t madness::response_space::num_states

vector of vector of real 3d functions

Referenced by clear(), norm2(), operator=(), pop_back(), push_back(), reset_active(), scale(), and size().

x

response_matrix madness::response_space::x

Referenced by response_space(), madness::apply(), begin(), clear(), compress_rf(), copy(), end(), norm2(), operator*(), operator+=(), operator=(), operator[](), pop_back(), push_back(), reconstruct_rf(), scale(), truncate_rf(), and zero().

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

• response_functions.h