FunctionNode holds the coefficients, etc., at each node of the 2^NDIM-tree. More...

#include <funcimpl.h>

Public Types
typedef GenTensor< T >	coeffT
typedef WorldContainer< Key< NDIM >, FunctionNode< T, NDIM > >	dcT
typedef Tensor< T >	tensorT

Public Member Functions
	FunctionNode ()
	Default constructor makes node without coeff or children.
	FunctionNode (const coeffT &coeff, bool has_children=false)
	Constructor from given coefficients with optional children.
	FunctionNode (const coeffT &coeff, double norm_tree, bool has_children)
	FunctionNode (const coeffT &coeff, double norm_tree, double dnorm_tree, double snorm, double dnorm, bool has_children)
	FunctionNode (const FunctionNode< T, NDIM > &other)
void	accumulate (const coeffT &t, const typename FunctionNode< T, NDIM >::dcT &c, const Key< NDIM > &key, const TensorArgs &args, const bool do_svd_add)
	Accumulate inplace and if necessary connect node to parent.
void	accumulate2 (const tensorT &t, const typename FunctionNode< T, NDIM >::dcT &c, const Key< NDIM > &key)
	Accumulate inplace and if necessary connect node to parent.
void	clear_coeff ()
	Clears the coefficients (has_coeff() will subsequently return false).
coeffT &	coeff ()
	Returns a non-const reference to the tensor containing the coeffs.
const coeffT &	coeff () const
	Returns a const reference to the tensor containing the coeffs.
void	consolidate_buffer (const TensorArgs &args, const bool do_svd_add)
template<typename Q>
FunctionNode< Q, NDIM >	convert () const
	Copy with possible type conversion of coefficients, copying all other state.
template<typename Q, typename R>
void	gaxpy_inplace (const T &alpha, const FunctionNode< Q, NDIM > &other, const R &beta)
	General bi-linear operation — this = thisalpha + otherbeta.
double	get_dnorm () const
	return the precomputed norm of the (virtual) d coefficients
double	get_dnorm_tree () const
	Gets the value of dnorm_tree.
double	get_norm_tree () const
	Gets the value of norm_tree.
double	get_snorm () const
	get the precomputed norm of the (virtual) s coefficients
bool	has_children () const
	Returns true if this node has children.
bool	has_coeff () const
	Returns true if there are coefficients in this node.
bool	is_invalid () const
	Returns true if this node is invalid (no coeffs and no children).
bool	is_leaf () const
	Returns true if this does not have children.
FunctionNode< T, NDIM > &	operator= (const FunctionNode< T, NDIM > &other)
void	print_json (std::ostream &s) const
void	recompute_snorm_and_dnorm (const FunctionCommonData< T, NDIM > &cdata)
void	reduceRank (const double &eps)
	reduces the rank of the coefficients (if applicable)
template<typename Q>
void	scale (Q a)
	Scale the coefficients of this node.
void	scale_norms (const double a)
	Multiply the stored norms by a, for coefficients scaled by some q with \|q\| = a.
template<typename Archive>
void	serialize (Archive &ar)
void	set_coeff (const coeffT &coeffs)
	Takes a shallow copy of the coeff — same as `this->coeff()=coeff`.
void	set_dnorm (const double dn)
	set the precomputed norm of the (virtual) d coefficients
void	set_dnorm_tree (double dnorm_tree)
	Sets the value of dnorm_tree.
void	set_has_children (bool flag)
	Sets `has_children` attribute to value of `flag`.
void	set_has_children_recursive (const typename FunctionNode< T, NDIM >::dcT &c, const Key< NDIM > &key)
	Sets `has_children` attribute to true recurring up to ensure connected.
void	set_is_leaf (bool flag)
	Sets `has_children` attribute to value of `!flag`.
void	set_norm_tree (double norm_tree)
	Sets the value of norm_tree.
void	set_snorm (const double sn)
	set the precomputed norm of the (virtual) s coefficients
size_t	size () const
	Returns the number of coefficients in this node.
T	trace_conj (const FunctionNode< T, NDIM > &rhs) const

Private Attributes
coeffT	_coeffs
	The coefficients, if any.
double	_dnorm_tree =NORM_TREE_UNCOMPUTED
	norm of the difference coefficients summed up the tree
bool	_has_children
	True if there are children.
double	_norm_tree
	After norm_tree will contain norm of sum coefficients summed up tree.
coeffT	buffer
	The coefficients, if any.
double	dnorm =-1.0
	norm of the d coefficients, also defined if there are no d coefficients
double	snorm =-1.0
	norm of the s coefficients

Detailed Description

template<typename T, std::size_t NDIM>
class madness::FunctionNode< T, NDIM >

FunctionNode holds the coefficients, etc., at each node of the 2^NDIM-tree.

Member Typedef Documentation

◆ coeffT

template<typename T, std::size_t NDIM>

typedef GenTensor<T> madness::FunctionNode< T, NDIM >::coeffT

◆ dcT

template<typename T, std::size_t NDIM>

typedef WorldContainer<Key<NDIM> , FunctionNode<T, NDIM> > madness::FunctionNode< T, NDIM >::dcT

Type of container holding the nodes

◆ tensorT

template<typename T, std::size_t NDIM>

typedef Tensor<T> madness::FunctionNode< T, NDIM >::tensorT

Constructor & Destructor Documentation

◆ FunctionNode() [1/5]

template<typename T, std::size_t NDIM>

madness::FunctionNode< T, NDIM >::FunctionNode ( )

inline

Default constructor makes node without coeff or children.

References _coeffs, _dnorm_tree, _has_children, _norm_tree, and madness::NORM_TREE_UNCOMPUTED.

Referenced by FunctionNode(), convert(), gaxpy_inplace(), operator=(), and trace_conj().

◆ FunctionNode() [2/5]

template<typename T, std::size_t NDIM>

madness::FunctionNode< T, NDIM >::FunctionNode	(	const coeffT &	coeff,
		bool	has_children = false )

inlineexplicit

Constructor from given coefficients with optional children.

Note that only a shallow copy of the coeff are taken so you should pass in a deep copy if you want the node to take ownership.

References _coeffs, _dnorm_tree, _has_children, _norm_tree, coeff(), has_children(), and madness::NORM_TREE_UNCOMPUTED.

◆ FunctionNode() [3/5]

template<typename T, std::size_t NDIM>

madness::FunctionNode< T, NDIM >::FunctionNode	(	const coeffT &	coeff,
		double	norm_tree,
		bool	has_children )

inlineexplicit

References _coeffs, _has_children, _norm_tree, coeff(), has_children(), and madness::norm_tree().

◆ FunctionNode() [4/5]

template<typename T, std::size_t NDIM>

madness::FunctionNode< T, NDIM >::FunctionNode	(	const coeffT &	coeff,
		double	norm_tree,
		double	dnorm_tree,
		double	snorm,
		double	dnorm,
		bool	has_children )

inlineexplicit

References _coeffs, _dnorm_tree, _has_children, _norm_tree, coeff(), dnorm, has_children(), madness::norm_tree(), and snorm.

◆ FunctionNode() [5/5]

template<typename T, std::size_t NDIM>

madness::FunctionNode< T, NDIM >::FunctionNode ( const FunctionNode< T, NDIM > & other )

inline

References FunctionNode(), _coeffs, _dnorm_tree, _has_children, _norm_tree, dnorm, and snorm.

Member Function Documentation

◆ accumulate()

template<typename T, std::size_t NDIM>

void madness::FunctionNode< T, NDIM >::accumulate	(	const coeffT &	t,
		const typename FunctionNode< T, NDIM >::dcT &	c,
		const Key< NDIM > &	key,
		const TensorArgs &	args,
		const bool	do_svd_add )

inline

Accumulate inplace and if necessary connect node to parent.

References _has_children, madness::GenTensor< T >::add_SVD(), buffer, c, coeff(), madness::copy(), madness::GenTensor< T >::gaxpy(), has_coeff(), madness::Key< NDIM >::level(), madness::Key< NDIM >::parent(), set_has_children_recursive(), task(), and madness::TensorArgs::thresh.

Referenced by madness::FunctionImpl< T, NDIM >::Vphi_ij_u_op_NS< opT, LDIM >::accumulate_into_result(), madness::FunctionImpl< T, NDIM >::Vphi_op_NS< opT, LDIM >::accumulate_into_result(), madness::FunctionImpl< T, LDIM >::do_apply_kernel(), madness::FunctionImpl< T, LDIM >::do_apply_kernel2(), madness::FunctionImpl< T, LDIM >::do_apply_kernel3(), madness::accumulate_op< T, NDIM >::operator()(), madness::FunctionImpl< T, NDIM >::do_accumulate_trees< Q, R >::operator()(), and madness::FunctionImpl< T, LDIM >::partial_inner_contract().

◆ accumulate2()

template<typename T, std::size_t NDIM>

void madness::FunctionNode< T, NDIM >::accumulate2	(	const tensorT &	t,
		const typename FunctionNode< T, NDIM >::dcT &	c,
		const Key< NDIM > &	key )

inline

◆ clear_coeff()

template<typename T, std::size_t NDIM>

void madness::FunctionNode< T, NDIM >::clear_coeff ( )

inline

Clears the coefficients (has_coeff() will subsequently return false).

References coeff().

◆ coeff() [1/2]

template<typename T, std::size_t NDIM>

coeffT & madness::FunctionNode< T, NDIM >::coeff ( )

inline

Returns a non-const reference to the tensor containing the coeffs.

Returns an empty tensor if there are no coefficients.

References _coeffs, MADNESS_ASSERT, and madness::MAXK.

◆ coeff() [2/2]

template<typename T, std::size_t NDIM>

const coeffT & madness::FunctionNode< T, NDIM >::coeff ( ) const

inline

Returns a const reference to the tensor containing the coeffs.

Returns an empty tensor if there are no coefficeints.

References _coeffs.

◆ consolidate_buffer()

template<typename T, std::size_t NDIM>

void madness::FunctionNode< T, NDIM >::consolidate_buffer	(	const TensorArgs &	args,
		const bool	do_svd_add )

inline

References madness::GenTensor< T >::add_SVD(), buffer, coeff(), madness::GenTensor< T >::gaxpy(), madness::has_data(), and madness::TensorArgs::thresh.

◆ convert()

template<typename T, std::size_t NDIM>

template<typename Q>

FunctionNode< Q, NDIM > madness::FunctionNode< T, NDIM >::convert ( ) const

inline

Copy with possible type conversion of coefficients, copying all other state.

Choose to not overload copy and type conversion operators so there are no automatic type conversions.

References FunctionNode(), _dnorm_tree, _has_children, _norm_tree, coeff(), madness::convert(), dnorm, and snorm.

◆ gaxpy_inplace()

template<typename T, std::size_t NDIM>

template<typename Q, typename R>

void madness::FunctionNode< T, NDIM >::gaxpy_inplace	(	const T &	alpha,
		const FunctionNode< Q, NDIM > &	other,
		const R &	beta )

inline

General bi-linear operation — this = this*alpha + other*beta.

This/other may not have coefficients. Has_children will be true in the result if either this/other have children.

References FunctionNode(), _has_children, alpha, beta, coeff(), madness::GenTensor< T >::gaxpy(), has_children(), has_coeff(), R, and madness::GenTensor< T >::scale().

Referenced by madness::FunctionImpl< T, LDIM >::vtransform_doit().

◆ get_dnorm()

template<typename T, std::size_t NDIM>

double madness::FunctionNode< T, NDIM >::get_dnorm ( ) const

inline

return the precomputed norm of the (virtual) d coefficients

References dnorm.

Referenced by madness::FunctionImpl< T, LDIM >::get_contraction_node_lists(), madness::operator<<(), and print_json().

◆ get_dnorm_tree()

template<typename T, std::size_t NDIM>

double madness::FunctionNode< T, NDIM >::get_dnorm_tree ( ) const

inline

Gets the value of dnorm_tree.

References _dnorm_tree.

Referenced by madness::operator<<().

◆ get_norm_tree()

template<typename T, std::size_t NDIM>

double madness::FunctionNode< T, NDIM >::get_norm_tree ( ) const

inline

Gets the value of norm_tree.

References _norm_tree.

Referenced by madness::FunctionImpl< T, NDIM >::broaden(), madness::operator<<(), and print_json().

◆ get_snorm()

template<typename T, std::size_t NDIM>

double madness::FunctionNode< T, NDIM >::get_snorm ( ) const

inline

get the precomputed norm of the (virtual) s coefficients

References snorm.

Referenced by madness::operator<<(), print_json(), and madness::FunctionImpl< T, LDIM >::recur_down_for_contraction_map().

◆ has_children()

template<typename T, std::size_t NDIM>

bool madness::FunctionNode< T, NDIM >::has_children ( ) const

inline

Returns true if this node has children.

References _has_children.

◆ has_coeff()

template<typename T, std::size_t NDIM>

bool madness::FunctionNode< T, NDIM >::has_coeff ( ) const

inline

Returns true if there are coefficients in this node.

References _coeffs.

◆ is_invalid()

template<typename T, std::size_t NDIM>

bool madness::FunctionNode< T, NDIM >::is_invalid ( ) const

inline

Returns true if this node is invalid (no coeffs and no children).

References has_children(), and has_coeff().

◆ is_leaf()

template<typename T, std::size_t NDIM>

bool madness::FunctionNode< T, NDIM >::is_leaf ( ) const

inline

Returns true if this does not have children.

References _has_children.

◆ operator=()

template<typename T, std::size_t NDIM>

FunctionNode< T, NDIM > & madness::FunctionNode< T, NDIM >::operator= ( const FunctionNode< T, NDIM > & other )

inline

References FunctionNode(), _dnorm_tree, _has_children, _norm_tree, coeff(), madness::copy(), dnorm, and snorm.

◆ print_json()

template<typename T, std::size_t NDIM>

void madness::FunctionNode< T, NDIM >::print_json ( std::ostream & s ) const

inline

like operator<<(ostream&, const FunctionNode<T,NDIM>&) but produces a sequence JSON-formatted key-value pairs

Warning: enclose the output in curly braces to make a valid JSON object

References coeff(), madness::GenTensor< T >::dim(), e(), get_dnorm(), get_norm_tree(), get_snorm(), has_children(), has_coeff(), norm(), madness::NORM_TREE_UNCOMPUTED, madness::GenTensor< T >::normf(), and madness::GenTensor< T >::rank().

Referenced by madness::FunctionImpl< T, NDIM >::do_print_tree_json().

◆ recompute_snorm_and_dnorm()

template<typename T, std::size_t NDIM>

void madness::FunctionNode< T, NDIM >::recompute_snorm_and_dnorm ( const FunctionCommonData< T, NDIM > & cdata )

inline

References c, coeff(), madness::copy(), dnorm, MADNESS_EXCEPTION, norm(), madness::GenTensor< T >::normf(), madness::FunctionCommonData< T, NDIM >::s0, size(), snorm, and madness::FunctionCommonData< T, NDIM >::vk.

Referenced by madness::FunctionImpl< T, LDIM >::recur_down_for_contraction_map().

◆ reduceRank()

template<typename T, std::size_t NDIM>

void madness::FunctionNode< T, NDIM >::reduceRank ( const double & eps )

inline

reduces the rank of the coefficients (if applicable)

References _coeffs.

Referenced by madness::FunctionImpl< T, NDIM >::do_reduce_rank::operator()(), and madness::FunctionImpl< T, NDIM >::do_standard::operator()().

◆ scale()

template<typename T, std::size_t NDIM>

template<typename Q>

void madness::FunctionNode< T, NDIM >::scale ( Q a )

inline

Scale the coefficients of this node.

References _coeffs, a, and Q().

◆ scale_norms()

template<typename T, std::size_t NDIM>

void madness::FunctionNode< T, NDIM >::scale_norms ( const double a )

inline

Multiply the stored norms by a, for coefficients scaled by some q with |q| = a.

The tree state survives scaling, and mul_sparse screens on these norms without recomputing them. Norms that were never computed stay marked as such. A negative norm_tree is a marker left by broaden and refine_op, not a norm.

References _dnorm_tree, _norm_tree, a, dnorm, madness::NORM_TREE_UNCOMPUTED, and snorm.

Referenced by madness::detail::scaleinplace< T, NDIM >::operator()(), and madness::FunctionImpl< T, LDIM >::scale_oop().

◆ serialize()

template<typename T, std::size_t NDIM>

template<typename Archive>

void madness::FunctionNode< T, NDIM >::serialize ( Archive & ar )

inline

References _dnorm_tree, _has_children, _norm_tree, coeff(), dnorm, and snorm.

◆ set_coeff()

template<typename T, std::size_t NDIM>

void madness::FunctionNode< T, NDIM >::set_coeff ( const coeffT & coeffs )

inline

Takes a shallow copy of the coeff — same as this->coeff()=coeff.

References _coeffs, coeff(), madness::GenTensor< T >::dim(), MADNESS_ASSERT, madness::MAXK, and madness::print().

Referenced by madness::FunctionImpl< T, NDIM >::reconstruct_op(), and madness::FunctionImpl< T, NDIM >::truncate_op().

◆ set_dnorm()

template<typename T, std::size_t NDIM>

void madness::FunctionNode< T, NDIM >::set_dnorm ( const double dn )

inline

set the precomputed norm of the (virtual) d coefficients

References dnorm.

◆ set_dnorm_tree()

template<typename T, std::size_t NDIM>

void madness::FunctionNode< T, NDIM >::set_dnorm_tree ( double dnorm_tree )

inline

Sets the value of dnorm_tree.

References _dnorm_tree.

◆ set_has_children()

template<typename T, std::size_t NDIM>

void madness::FunctionNode< T, NDIM >::set_has_children ( bool flag )

inline

Sets has_children attribute to value of flag.

References _has_children.

Referenced by madness::FunctionImpl< T, NDIM >::erase(), madness::FunctionImpl< T, NDIM >::reconstruct_op(), madness::FunctionImpl< T, LDIM >::refine_op(), madness::FunctionImpl< T, NDIM >::truncate_op(), and madness::FunctionImpl< T, NDIM >::truncate_reconstructed_op().

◆ set_has_children_recursive()

template<typename T, std::size_t NDIM>

void madness::FunctionNode< T, NDIM >::set_has_children_recursive	(	const typename FunctionNode< T, NDIM >::dcT &	c,
		const Key< NDIM > &	key )

inline

Sets has_children attribute to true recurring up to ensure connected.

References _has_children, c, has_children(), has_coeff(), madness::Key< NDIM >::level(), madness::Key< NDIM >::parent(), set_has_children_recursive(), and task().

Referenced by accumulate(), accumulate2(), madness::FunctionImpl< T, LDIM >::read_grid(), madness::FunctionImpl< T, LDIM >::read_grid2(), set_has_children_recursive(), and madness::FunctionImpl< T, LDIM >::vtransform_doit().

◆ set_is_leaf()

template<typename T, std::size_t NDIM>

void madness::FunctionNode< T, NDIM >::set_is_leaf ( bool flag )

inline

Sets has_children attribute to value of !flag.

References _has_children.

Referenced by madness::FunctionImpl< T, NDIM >::chop_at_level().

◆ set_norm_tree()

template<typename T, std::size_t NDIM>

void madness::FunctionNode< T, NDIM >::set_norm_tree ( double norm_tree )

inline

Sets the value of norm_tree.

References _norm_tree, and madness::norm_tree().

Referenced by madness::FunctionImpl< T, NDIM >::broaden(), and madness::FunctionImpl< T, NDIM >::norm_tree_op().

◆ set_snorm()

template<typename T, std::size_t NDIM>

void madness::FunctionNode< T, NDIM >::set_snorm ( const double sn )

inline

set the precomputed norm of the (virtual) s coefficients

References snorm.

◆ size()

template<typename T, std::size_t NDIM>

size_t madness::FunctionNode< T, NDIM >::size ( ) const

inline

Returns the number of coefficients in this node.

References _coeffs.

Referenced by recompute_snorm_and_dnorm(), and madness::FunctionImpl< T, NDIM >::size_local().

◆ trace_conj()

template<typename T, std::size_t NDIM>

T madness::FunctionNode< T, NDIM >::trace_conj ( const FunctionNode< T, NDIM > & rhs ) const

inline

References FunctionNode(), and _coeffs.

Member Data Documentation

◆ _coeffs

template<typename T, std::size_t NDIM>

coeffT madness::FunctionNode< T, NDIM >::_coeffs

private

The coefficients, if any.

Referenced by FunctionNode(), FunctionNode(), FunctionNode(), FunctionNode(), FunctionNode(), coeff(), coeff(), has_coeff(), reduceRank(), scale(), set_coeff(), size(), and trace_conj().

◆ _dnorm_tree

template<typename T, std::size_t NDIM>

double madness::FunctionNode< T, NDIM >::_dnorm_tree =NORM_TREE_UNCOMPUTED

private

norm of the difference coefficients summed up the tree

Referenced by FunctionNode(), FunctionNode(), FunctionNode(), FunctionNode(), convert(), get_dnorm_tree(), operator=(), scale_norms(), serialize(), and set_dnorm_tree().

◆ _has_children

template<typename T, std::size_t NDIM>

bool madness::FunctionNode< T, NDIM >::_has_children

private

True if there are children.

Referenced by FunctionNode(), FunctionNode(), FunctionNode(), FunctionNode(), FunctionNode(), accumulate(), accumulate2(), convert(), gaxpy_inplace(), has_children(), is_leaf(), operator=(), serialize(), set_has_children(), set_has_children_recursive(), and set_is_leaf().

◆ _norm_tree

template<typename T, std::size_t NDIM>

double madness::FunctionNode< T, NDIM >::_norm_tree

private

After norm_tree will contain norm of sum coefficients summed up tree.

Referenced by FunctionNode(), FunctionNode(), FunctionNode(), FunctionNode(), FunctionNode(), convert(), get_norm_tree(), operator=(), scale_norms(), serialize(), and set_norm_tree().

◆ buffer

template<typename T, std::size_t NDIM>

coeffT madness::FunctionNode< T, NDIM >::buffer

private

The coefficients, if any.

Referenced by accumulate(), and consolidate_buffer().

◆ dnorm

template<typename T, std::size_t NDIM>

double madness::FunctionNode< T, NDIM >::dnorm =-1.0

private

norm of the d coefficients, also defined if there are no d coefficients

Referenced by FunctionNode(), FunctionNode(), convert(), get_dnorm(), operator=(), recompute_snorm_and_dnorm(), scale_norms(), serialize(), and set_dnorm().

◆ snorm

template<typename T, std::size_t NDIM>

double madness::FunctionNode< T, NDIM >::snorm =-1.0

private

norm of the s coefficients

Referenced by FunctionNode(), FunctionNode(), convert(), get_snorm(), operator=(), recompute_snorm_and_dnorm(), scale_norms(), serialize(), and set_snorm().

The documentation for this class was generated from the following files:

Public Types

Public Member Functions

Private Attributes

Detailed Description

Member Typedef Documentation

◆ coeffT

◆ dcT

◆ tensorT

Constructor & Destructor Documentation

◆ FunctionNode() [1/5]

◆ FunctionNode() [2/5]

◆ FunctionNode() [3/5]

◆ FunctionNode() [4/5]

◆ FunctionNode() [5/5]

Member Function Documentation

◆ accumulate()

◆ accumulate2()

◆ clear_coeff()

◆ coeff() [1/2]

◆ coeff() [2/2]

◆ consolidate_buffer()

◆ convert()

◆ gaxpy_inplace()

◆ get_dnorm()

◆ get_dnorm_tree()

◆ get_norm_tree()

◆ get_snorm()

◆ has_children()

◆ has_coeff()

◆ is_invalid()

◆ is_leaf()

◆ operator=()

◆ print_json()

◆ recompute_snorm_and_dnorm()

◆ reduceRank()

◆ scale()

◆ scale_norms()

◆ serialize()

◆ set_coeff()

◆ set_dnorm()

◆ set_dnorm_tree()

◆ set_has_children()

◆ set_has_children_recursive()

◆ set_is_leaf()

◆ set_norm_tree()

◆ set_snorm()

◆ size()

◆ trace_conj()

Member Data Documentation

◆ _coeffs

◆ _dnorm_tree

◆ _has_children

◆ _norm_tree

◆ buffer

◆ dnorm

◆ snorm