#include <srconf.h>

Inheritance diagram for madness::SRConf< T >:

Collaboration diagram for madness::SRConf< T >:

Public Types
typedef Tensor< T >	tensorT

Public Member Functions
	SRConf ()
	default ctor More...

	SRConf (const long &ndim, const long *dimensions, const long nci)

	SRConf (const long &ndim, const std::array< long, TENSOR_MAXDIM > &dimensions, const long nci)

	SRConf (const SRConf &rhs)=default
	copy ctor (tested); shallow copy More...

	SRConf (const Tensor< double > &weights, const std::vector< Tensor< T > > &vectors, const long &ndim, const long &dims, const long nci)
	ctor with provided weights and effective vectors; shallow copy More...

	SRConf (const Tensor< double > &weights, const tensorT &vector1, const tensorT &vector2, const long &ndim, const long *dims, const long nci)
	explicit ctor with two vectors (aka SVD), shallow More...

	~SRConf ()
	dtor More...

void	add_SVD (const SRConf< T > &rhs, const double &thresh)
	add two orthonormal configurations, yielding an optimal SVD decomposition More...

void	append (const SRConf< T > &rhs, const double fac=1.0)
	append configurations of rhs to this More...

void	append (const SRConf< T > &rhs, const double_complex fac=1.0)

const std::vector< Slice > &	c0 (const int idim) const
	return a Slice that corresponds the that part of vector_ that holds coefficients More...

void	clear ()

SRConf< T >	copy_slice (const std::array< Slice, TENSOR_MAXDIM > &s) const
	return a slice of this (deep copy) More...

int	dim_per_vector (int idim) const
	return the number of physical dimensions More...

SRConf< T > &	emul (const SRConf< T > &other)
	perform elementwise Hadamard product More...

Tensor< T >	flat_vector (const unsigned int &idim)
	return shallow copy of a slice of one of the vectors, flattened to (r,kVec) More...

const Tensor< T >	flat_vector (const unsigned int &idim) const
	return shallow copy of a slice of one of the vectors, flattened to (r,kVec) More...

Tensor< T >	flat_vector_with_weights (const int dim) const
	return flat (r,i) view of the tensor with the weights multiplied in More...

template<typename Q >
SRConf< TENSOR_RESULT_TYPE(T, Q) >	general_transform (const Tensor< Q > c[]) const

const SRConf	get_configs (const int &start, const int &end) const

bool	has_data () const
	does this have any data? More...

bool	has_no_data () const
	does this have any data? More...

bool	has_structure () const
	return if this has a tensor structure (has not been flattened) More...

long	kVec (const int idim) const

void	make_empty_vectors_and_weights (const long rank)

std::array< std::array< long, TENSOR_MAXDIM >, 2 >	make_vector_dimensions (const long rank) const
	deduce the dimensions of the left and right singular vectors from the tensor dimensions More...

Tensor< T >	make_vector_with_weights (const int dim) const

SRConf &	operator= (const SRConf &rhs)
	assignment operator (tested), shallow copy of vectors More...

SRConf &	operator= (const T &number)
	assign a number to this; More...

long	rank () const
	return the logicalrank More...

Tensor< T >	reconstruct () const
	reconstruct this to return a full tensor More...

Tensor< T > &	ref_vector (const unsigned int &idim)
	return reference to one of the vectors F More...

const Tensor< T > &	ref_vector (const unsigned int &idim) const
	return reference to one of the vectors F More...

template<typename Archive >
void	serialize (Archive &ar)

void	set_size_and_dim (long ndim, long k)

void	set_vectors_and_weights (const Tensor< typename Tensor< T >::scalar_type > &weights, const Tensor< T > &vector1, const Tensor< T > &vector2)

SRConf< T >	transform_dir (const Tensor< T > &c, const int &axis) const

double	weights (const unsigned int &i) const
	return the weight More...

Public Member Functions inherited from madness::BaseTensor
	BaseTensor ()

virtual	~BaseTensor ()

bool	conforms (const BaseTensor *t) const
	Returns true if this and *t are the same shape and size. More...

long	dim (int i) const
	Returns the size of dimension `i`. More...

const long *	dims () const
	Returns the array of tensor dimensions. More...

long	id () const
	Returns the typeid of the tensor (c.f., `TensorTypeData<T>` ) More...

bool	iscontiguous () const
	Returns true if the tensor refers to contiguous memory locations. More...

long	ndim () const
	Returns the number of dimensions in the tensor. More...

long	size () const
	Returns the number of elements in the tensor. More...

long	stride (int i) const
	Returns the stride associated with dimension `i`. More...

const long *	strides () const
	Returns the array of tensor strides. More...

Static Public Member Functions
static int	max_sigma (const double &thresh, const long &rank, const Tensor< double > &w)

Static Public Member Functions inherited from madness::BaseTensor
static int	get_instance_count ()
	Returns the count of all current instances of tensors & slice tensors of all types. More...

Public Attributes
long	nci_left =-1
	separation dimensions: A(n,m) -> A(r,n) B(r,m), with n={k1,k2},m={k3,k4,k5..) multi-indices More...

std::vector< Slice >	s0

std::vector< Slice >	s1

std::array< Tensor< T >, 2 >	vector_

Tensor< typename Tensor< T >::scalar_type >	weights_
	for each configuration the weight; length should be r More...

Static Public Attributes
static const bool	check_orthonormality =false
	check orthonormality at low rank additions More...

Protected Member Functions
bool	check_dimensions () const

bool	check_right_orthonormality () const
	check if the terms are orthogonal More...

void	fillWithRandom (const long &rank=1)
	fill this SRConf with 1 flattened random configurations (tested) More...

void	inplace_add (const SRConf< T > &rhs, std::array< Slice, TENSOR_MAXDIM > lhs_s, std::array< Slice, TENSOR_MAXDIM > rhs_s, const double alpha, const double beta)
	alpha * this(lhs_s) + beta * rhs(rhs_s) More...

bool	is_flat () const
	return if this has only one additional dimension (apart from rank) More...

Tensor< T >	make_left_vector_with_weights () const

void	make_slices ()
	redo the Slices for getting direct access to the configurations More...

std::array< std::vector< Slice >, 2 >	make_slices (const std::array< Slice, TENSOR_MAXDIM > &s) const

void	make_structure (bool force=false)

unsigned int	nCoeff () const
	return the number of coefficients More...

void	normalize ()
	normalize the vectors (tested) More...

TensorTypeData< T >::float_scalar_type	normf () const
	calculate the Frobenius norm More...

size_t	real_size () const
	return the real size of this More...

void	scale (const double &fac)
	scale this by a number More...

void	scale (const double_complex &fac)

TensorTypeData< T >::float_scalar_type	svd_normf () const
	calculate the Frobenius norm, if this is in SVD form More...

template<typename Q >
std::enable_if<(TensorTypeData< T >::iscomplex or TensorTypeData< Q >::iscomplex), TENSOR_RESULT_TYPE(T, Q)>::type friend	trace (const SRConf< T > &rhs, const SRConf< Q > &lhs)

template<typename Q >
std::enable_if<!(TensorTypeData< T >::iscomplex or TensorTypeData< Q >::iscomplex), TENSOR_RESULT_TYPE(T, Q)>::type friend	trace (const SRConf< T > &rhs, const SRConf< Q > &lhs)
	calculate the Frobenius inner product (tested) More...

SRConf< T >	transform (const Tensor< T > &c) const

Protected Member Functions inherited from madness::BaseTensor
void	cycledim_inplace (long shift, long start, long end)
	Cyclic shift of dimensions. More...

void	flat_inplace ()
	Reshapes the tensor inplace into 1D. More...

void	fusedim_inplace (long i)
	Fuses dimensions `i` and `i+1`. More...

void	mapdim_inplace (const std::vector< long > &map)
	General permutation of dimensions. More...

void	reshape_inplace (const std::vector< long > &d)
	Reshapes the tensor inplace. More...

void	reshape_inplace (int ndimnew, const long *d)
	Reshapes the tensor inplace. More...

void	set_dims_and_size (long nd, const long d[])

void	splitdim_inplace (long i, long dimi0, long dimi1)
	Splits dimension `i`. More...

void	swapdim_inplace (long i, long j)
	Swaps the dimensions. More...

Private Types
typedef TensorTypeData< T >::float_scalar_type	float_scalar_type

typedef Tensor< T >::scalar_type	scalar_type
	the scalar type of T More...

Friends
bool	compatible (const SRConf &lhs, const SRConf &rhs)
	check compatibility More...

SRConf< T >	copy (const SRConf< T > &rhs)
	deep copy of rhs, shrink More...

class	GenTensor< T >

class	SliceLowRankTensor< T >

Additional Inherited Members
Protected Attributes inherited from madness::BaseTensor
long	_dim [TENSOR_MAXDIM]
	Size of each dimension. More...

long	_id
	Id from TensorTypeData<T> in type_data.h. More...

long	_ndim
	Number of dimensions (-1=invalid; 0=no supported; >0=tensor) More...

long	_size
	Number of elements in the tensor. More...

long	_stride [TENSOR_MAXDIM]
	Increment between elements in each dimension. More...

Detailed Description

template<typename T>
class madness::SRConf< T >

A SRConf handles all the configurations in a Separated Representation.

Member Typedef Documentation

◆ float_scalar_type

template<typename T >

typedef TensorTypeData<T>::float_scalar_type madness::SRConf< T >::float_scalar_type

private

◆ scalar_type

template<typename T >

typedef Tensor<T>::scalar_type madness::SRConf< T >::scalar_type

private

the scalar type of T

◆ tensorT

template<typename T >

typedef Tensor<T> madness::SRConf< T >::tensorT

Constructor & Destructor Documentation

◆ SRConf() [1/6]

template<typename T >

madness::SRConf< T >::SRConf ( )

inline

default ctor

◆ SRConf() [2/6]

template<typename T >

madness::SRConf< T >::SRConf	(	const long &	ndim,
		const long *	dimensions,
		const long	nci
	)

inline

References madness::SRConf< T >::make_structure(), madness::SRConf< T >::nci_left, madness::BaseTensor::ndim(), and madness::BaseTensor::set_dims_and_size().

◆ SRConf() [3/6]

template<typename T >

madness::SRConf< T >::SRConf	(	const long &	ndim,
		const std::array< long, TENSOR_MAXDIM > &	dimensions,
		const long	nci
	)

inline

◆ SRConf() [4/6]

template<typename T >

madness::SRConf< T >::SRConf ( const SRConf< T > & rhs )

default

copy ctor (tested); shallow copy

◆ SRConf() [5/6]

template<typename T >

madness::SRConf< T >::SRConf	(	const Tensor< double > &	weights,
		const std::vector< Tensor< T > > &	vectors,
		const long &	ndim,
		const long &	dims,
		const long	nci
	)

inline

ctor with provided weights and effective vectors; shallow copy

References madness::SRConf< T >::check_dimensions(), madness::SRConf< T >::has_structure(), MADNESS_ASSERT, madness::SRConf< T >::make_structure(), madness::SRConf< T >::set_vectors_and_weights(), and madness::SRConf< T >::weights().

◆ SRConf() [6/6]

template<typename T >

madness::SRConf< T >::SRConf	(	const Tensor< double > &	weights,
		const tensorT &	vector1,
		const tensorT &	vector2,
		const long &	ndim,
		const long *	dims,
		const long	nci
	)

inline

explicit ctor with two vectors (aka SVD), shallow

References madness::SRConf< T >::check_dimensions(), MADNESS_ASSERT, madness::SRConf< T >::make_structure(), madness::SRConf< T >::set_vectors_and_weights(), and madness::SRConf< T >::weights().

◆ ~SRConf()

template<typename T >

madness::SRConf< T >::~SRConf ( )

inline

dtor

Member Function Documentation

◆ add_SVD()

template<typename T >

void madness::SRConf< T >::add_SVD	(	const SRConf< T > &	rhs,
		const double &	thresh
	)

inline

add two orthonormal configurations, yielding an optimal SVD decomposition

◆ append() [1/2]

template<typename T >

void madness::SRConf< T >::append	(	const SRConf< T > &	rhs,
		const double	fac = `1.0`
	)

inline

append configurations of rhs to this

simplified version of inplace_add for flattened configurations *this += fac*rhs

Referenced by madness::SVDTensor< T >::gaxpy().

◆ append() [2/2]

template<typename T >

void madness::SRConf< T >::append	(	const SRConf< T > &	rhs,
		const double_complex	fac = `1.0`
	)

inline

References MADNESS_EXCEPTION.

◆ c0()

template<typename T >

const std::vector<Slice>& madness::SRConf< T >::c0 ( const int idim ) const

inline

return a Slice that corresponds the that part of vector_ that holds coefficients

References MADNESS_EXCEPTION, madness::SRConf< T >::s0, and madness::SRConf< T >::s1.

Referenced by madness::SRConf< T >::append(), and madness::SRConf< T >::check_right_orthonormality().

◆ check_dimensions()

template<typename T >

bool madness::SRConf< T >::check_dimensions ( ) const

inlineprotected

References madness::BaseTensor::dim(), madness::SRConf< T >::nci_left, madness::BaseTensor::ndim(), madness::SRConf< T >::rank(), and madness::SRConf< T >::vector_.

Referenced by madness::SRConf< T >::SRConf().

◆ check_right_orthonormality()

template<typename T >

bool madness::SRConf< T >::check_right_orthonormality ( ) const

inlineprotected

check if the terms are orthogonal

References madness::SRConf< T >::c0(), madness::BaseTensor::dim(), madness::inner(), madness::SRConf< T >::kVec(), madness::detail::norm(), madness::Tensor< T >::normf(), madness::SRConf< T >::rank(), madness::SRConf< T >::ref_vector(), madness::BaseTensor::size(), and small.

Referenced by madness::SRConf< T >::add_SVD().

◆ clear()

template<typename T >

void madness::SRConf< T >::clear ( )

inline

References madness::BaseTensor::_ndim, madness::BaseTensor::_size, madness::SRConf< T >::vector_, and madness::SRConf< T >::weights_.

Referenced by madness::SRConf< T >::operator=().

◆ copy_slice()

template<typename T >

SRConf<T> madness::SRConf< T >::copy_slice ( const std::array< Slice, TENSOR_MAXDIM > & s ) const

inline

return a slice of this (deep copy)

References madness::SRConf< T >::copy, madness::BaseTensor::dim(), madness::SRConf< T >::has_no_data(), k, madness::SRConf< T >::make_slices(), madness::SRConf< T >::nci_left, madness::BaseTensor::ndim(), madness::SRConf< T >::rank(), madness::SRConf< T >::set_vectors_and_weights(), madness::SRConf< T >::vector_, madness::SRConf< T >::weights(), and madness::SRConf< T >::weights_.

◆ dim_per_vector()

template<typename T >

int madness::SRConf< T >::dim_per_vector ( int idim ) const

inline

return the number of physical dimensions

References MADNESS_ASSERT, and madness::SRConf< T >::vector_.

Referenced by madness::SeparatedConvolution< Q, NDIM >::apply2_lowdim(), madness::SRConf< T >::normalize(), and madness::SRConf< T >::transform_dir().

◆ emul()

template<typename T >

SRConf<T>& madness::SRConf< T >::emul ( const SRConf< T > & other )

inline

perform elementwise Hadamard product

Referenced by madness::SVDTensor< T >::emul().

◆ fillWithRandom()

template<typename T >

void madness::SRConf< T >::fillWithRandom ( const long & rank = 1 )

inlineprotected

fill this SRConf with 1 flattened random configurations (tested)

References madness::SRConf< T >::has_structure(), madness::SRConf< T >::kVec(), MADNESS_ASSERT, madness::SRConf< T >::make_slices(), madness::SRConf< T >::normalize(), madness::SRConf< T >::rank(), madness::SRConf< T >::vector_, and madness::SRConf< T >::weights_.

◆ flat_vector() [1/2]

template<typename T >

Tensor<T> madness::SRConf< T >::flat_vector ( const unsigned int & idim )

inline

return shallow copy of a slice of one of the vectors, flattened to (r,kVec)

References madness::SRConf< T >::kVec(), MADNESS_ASSERT, madness::SRConf< T >::rank(), and madness::SRConf< T >::vector_.

◆ flat_vector() [2/2]

template<typename T >

const Tensor<T> madness::SRConf< T >::flat_vector ( const unsigned int & idim ) const

inline

return shallow copy of a slice of one of the vectors, flattened to (r,kVec)

References madness::SRConf< T >::kVec(), MADNESS_ASSERT, madness::SRConf< T >::rank(), and madness::SRConf< T >::vector_.

Referenced by madness::SRConf< T >::add_SVD(), madness::SRConf< T >::emul(), madness::SRConf< T >::get_configs(), madness::SRConf< T >::normf(), madness::SRConf< T >::reconstruct(), madness::FunctionImpl< T, NDIM >::tnorm(), and madness::SRConf< T >::trace().

◆ flat_vector_with_weights()

template<typename T >

Tensor<T> madness::SRConf< T >::flat_vector_with_weights ( const int dim ) const

inline

return flat (r,i) view of the tensor with the weights multiplied in

return a(r,i) = vec(dim)(r,i) * w(r)

References madness::BaseTensor::dim(), madness::SRConf< T >::make_vector_with_weights(), madness::SRConf< T >::rank(), madness::BaseTensor::size(), and madness::SRConf< T >::vector_.

◆ general_transform()

template<typename T >

template<typename Q >

SRConf<TENSOR_RESULT_TYPE(T,Q) > madness::SRConf< T >::general_transform ( const Tensor< Q > c[] ) const

inline

result(i,j,k,...) <-- sum(i',j', k',...) t(i',j',k',...) c(i',i) c(j',j) c(k',k) ...

madness::sum

Function< T, NDIM > sum(World &world, const std::vector< Function< T, NDIM > > &f, bool fence=true)

Returns new function — q = sum_i f[i].

Definition: vmra.h:1421

c

static const double c

Definition: relops.cc:10

k

static const long k

Definition: rk.cc:44

The input dimensions of t must all be the same .

References c, madness::SRConf< T >::copy, madness::BaseTensor::dims(), madness::SRConf< T >::has_no_data(), madness::SRConf< T >::has_structure(), madness::inner(), MADNESS_ASSERT, madness::SRConf< T >::nci_left, madness::BaseTensor::ndim(), madness::SRConf< T >::rank(), madness::SRConf< T >::set_vectors_and_weights(), madness::SRConf< T >::vector_, and madness::SRConf< T >::weights_.

◆ get_configs()

template<typename T >

const SRConf madness::SRConf< T >::get_configs	(	const int &	start,
		const int &	end
	)		const

inline

return some of the terms of the SRConf (start,..,end), inclusively shallow copy

References madness::_(), madness::BaseTensor::dims(), madness::SRConf< T >::flat_vector(), madness::SRConf< T >::has_structure(), MADNESS_ASSERT, madness::SRConf< T >::nci_left, madness::BaseTensor::ndim(), madness::SRConf< T >::rank(), madness::SRConf< T >::set_vectors_and_weights(), and madness::SRConf< T >::weights_.

◆ has_data()

template<typename T >

bool madness::SRConf< T >::has_data ( ) const

inline

does this have any data?

References madness::BaseTensor::size().

Referenced by madness::SRConf< T >::has_no_data().

◆ has_no_data()

template<typename T >

bool madness::SRConf< T >::has_no_data ( ) const

inline

does this have any data?

References madness::SRConf< T >::has_data().

Referenced by madness::SRConf< T >::add_SVD(), madness::SRConf< T >::append(), madness::SRConf< T >::copy_slice(), madness::SRConf< T >::general_transform(), madness::SRConf< T >::inplace_add(), madness::SRConf< T >::normf(), madness::SRConf< T >::operator=(), madness::SRConf< T >::svd_normf(), madness::SRConf< T >::trace(), madness::SRConf< T >::transform(), and madness::SRConf< T >::transform_dir().

◆ has_structure()

template<typename T >

bool madness::SRConf< T >::has_structure ( ) const

inline

return if this has a tensor structure (has not been flattened)

References madness::BaseTensor::dim(), madness::SRConf< T >::make_vector_dimensions(), and madness::SRConf< T >::vector_.

Referenced by madness::SRConf< T >::SRConf(), madness::SRConf< T >::add_SVD(), madness::SRConf< T >::append(), madness::SRConf< T >::fillWithRandom(), madness::SRConf< T >::general_transform(), madness::SRConf< T >::get_configs(), madness::SRConf< T >::inplace_add(), madness::SRConf< T >::normalize(), madness::SRConf< T >::operator=(), madness::SRConf< T >::serialize(), madness::SRConf< T >::transform(), and madness::SRConf< T >::transform_dir().

◆ inplace_add()

template<typename T >

void madness::SRConf< T >::inplace_add	(	const SRConf< T > &	rhs,
		std::array< Slice, TENSOR_MAXDIM >	lhs_s,
		std::array< Slice, TENSOR_MAXDIM >	rhs_s,
		const double	alpha,
		const double	beta
	)

inlineprotected

alpha * this(lhs_s) + beta * rhs(rhs_s)

bounds checking should have been performed by caller s denotes where in lhs the new contribution from rhs will be inserted

References alpha, beta, madness::BaseTensor::dims(), madness::SRConf< T >::has_no_data(), madness::SRConf< T >::has_structure(), MADNESS_ASSERT, madness::SRConf< T >::make_empty_vectors_and_weights(), madness::SRConf< T >::make_slices(), madness::SRConf< T >::nci_left, madness::BaseTensor::ndim(), madness::SRConf< T >::rank(), madness::SRConf< T >::s0, madness::SRConf< T >::s1, madness::swap(), madness::SRConf< T >::vector_, and madness::SRConf< T >::weights_.

◆ is_flat()

template<typename T >

bool madness::SRConf< T >::is_flat ( ) const

inlineprotected

return if this has only one additional dimension (apart from rank)

References madness::BaseTensor::ndim(), and madness::SRConf< T >::vector_.

◆ kVec()

template<typename T >

long madness::SRConf< T >::kVec ( const int idim ) const

inline

References madness::SRConf< T >::vector_.

Referenced by madness::SRConf< T >::add_SVD(), madness::SRConf< T >::check_right_orthonormality(), madness::SRConf< T >::emul(), madness::SRConf< T >::fillWithRandom(), and madness::SRConf< T >::flat_vector().

◆ make_empty_vectors_and_weights()

template<typename T >

void madness::SRConf< T >::make_empty_vectors_and_weights ( const long rank )

inline

References madness::SRConf< T >::make_structure(), madness::SRConf< T >::make_vector_dimensions(), madness::SRConf< T >::nci_left, madness::BaseTensor::ndim(), madness::SRConf< T >::rank(), madness::SRConf< T >::vector_, and madness::SRConf< T >::weights_.

Referenced by madness::SRConf< T >::emul(), madness::SRConf< T >::inplace_add(), and madness::SRConf< T >::operator=().

◆ make_left_vector_with_weights()

template<typename T >

Tensor<T> madness::SRConf< T >::make_left_vector_with_weights ( ) const

inlineprotected

References madness::SRConf< T >::make_vector_with_weights().

Referenced by madness::SRConf< T >::reconstruct().

◆ make_slices() [1/2]

template<typename T >

void madness::SRConf< T >::make_slices ( )

inlineprotected

redo the Slices for getting direct access to the configurations

References madness::_(), madness::SRConf< T >::nci_left, madness::BaseTensor::ndim(), madness::SRConf< T >::rank(), madness::SRConf< T >::s0, and madness::SRConf< T >::s1.

Referenced by madness::SRConf< T >::add_SVD(), madness::SRConf< T >::append(), madness::SRConf< T >::copy_slice(), madness::SRConf< T >::fillWithRandom(), madness::SRConf< T >::inplace_add(), and madness::SRConf< T >::make_structure().

◆ make_slices() [2/2]

template<typename T >

std::array<std::vector<Slice>,2> madness::SRConf< T >::make_slices ( const std::array< Slice, TENSOR_MAXDIM > & s ) const

inlineprotected

References madness::_(), madness::SRConf< T >::nci_left, madness::BaseTensor::ndim(), and madness::SRConf< T >::rank().

◆ make_structure()

template<typename T >

void madness::SRConf< T >::make_structure ( bool force = false )

inlineprotected

References madness::SRConf< T >::make_slices(), madness::SRConf< T >::make_vector_dimensions(), madness::SRConf< T >::nci_left, madness::BaseTensor::ndim(), madness::SRConf< T >::rank(), and madness::SRConf< T >::vector_.

Referenced by madness::SRConf< T >::SRConf(), madness::SRConf< T >::add_SVD(), madness::SRConf< T >::emul(), madness::SRConf< T >::make_empty_vectors_and_weights(), madness::SRConf< T >::operator=(), and madness::SRConf< T >::set_vectors_and_weights().

◆ make_vector_dimensions()

template<typename T >

std::array<std::array<long,TENSOR_MAXDIM>, 2> madness::SRConf< T >::make_vector_dimensions ( const long rank ) const

inline

deduce the dimensions of the left and right singular vectors from the tensor dimensions

References madness::BaseTensor::dim(), madness::SRConf< T >::nci_left, madness::BaseTensor::ndim(), and madness::SRConf< T >::rank().

Referenced by madness::SRConf< T >::append(), madness::SVDTensor< T >::concatenate(), madness::SRConf< T >::has_structure(), madness::SRConf< T >::make_empty_vectors_and_weights(), and madness::SRConf< T >::make_structure().

◆ make_vector_with_weights()

template<typename T >

Tensor<T> madness::SRConf< T >::make_vector_with_weights ( const int dim ) const

inline

References madness::_(), madness::SRConf< T >::copy, madness::BaseTensor::dim(), madness::BaseTensor::dims(), madness::BaseTensor::ndim(), madness::SRConf< T >::rank(), madness::BaseTensor::size(), v, madness::SRConf< T >::vector_, and madness::SRConf< T >::weights().

Referenced by madness::SRConf< T >::flat_vector_with_weights(), and madness::SRConf< T >::make_left_vector_with_weights().

◆ max_sigma()

template<typename T >

static int madness::SRConf< T >::max_sigma	(	const double &	thresh,
		const long &	rank,
		const Tensor< double > &	w
	)

inlinestatic

return the index of the last singular vector/value to meet the threshold (returns -1 if all meet threshold, i.e. || A ||_2 < threshold) given a matrix A in SVD form, truncate the singular values such that the accuracy threshold is still met.

Parameters

[in]	thresh	the threshold eps: \|\| A - A(truncated) \|\| < eps
[in]	rank	the number of singular values in w
[in]	w	the weights/singular values of A

Returns: i the index of s_max to contribute: w(Slice(0,i)); i.e. inclusive!

References madness::SRConf< T >::rank(), residual(), thresh, and w().

Referenced by madness::SeparatedConvolution< Q, NDIM >::apply2(), madness::SVDTensor< T >::compute_svd(), madness::TensorTrain< T >::decompose(), madness::SeparatedConvolution< Q, NDIM >::estimate_costs(), madness::ortho3(), madness::rank_revealing_decompose(), madness::TensorTrain< T >::splitdim(), test_stuff(), madness::TensorTrain< T >::truncate(), and madness::SVDTensor< T >::truncate_svd().

◆ nCoeff()

template<typename T >

unsigned int madness::SRConf< T >::nCoeff ( ) const

inlineprotected

return the number of coefficients

References madness::SRConf< T >::vector_, and madness::SRConf< T >::weights_.

Referenced by madness::SVDTensor< T >::nCoeff().

◆ normalize()

template<typename T >

void madness::SRConf< T >::normalize ( )

inlineprotected

normalize the vectors (tested)

References madness::_(), madness::SRConf< T >::dim_per_vector(), madness::SRConf< T >::has_structure(), MADNESS_ASSERT, madness::detail::norm(), madness::SRConf< T >::normf(), madness::SRConf< T >::rank(), madness::SRConf< T >::scale(), madness::SRConf< T >::vector_, and madness::SRConf< T >::weights_.

Referenced by madness::GenTensor< T >::convert_inplace(), madness::SRConf< T >::emul(), madness::SRConf< T >::fillWithRandom(), and madness::SRConf< T >::operator=().

◆ normf()

template<typename T >

TensorTypeData<T>::float_scalar_type madness::SRConf< T >::normf ( ) const

inlineprotected

calculate the Frobenius norm

References std::abs(), madness::Tensor< T >::emul(), madness::SRConf< T >::flat_vector(), madness::SRConf< T >::has_no_data(), madness::inner_result(), MADNESS_ASSERT, madness::BaseTensor::ndim(), madness::outer(), madness::SRConf< T >::rank(), madness::Tensor< T >::sum(), madness::vec(), and madness::SRConf< T >::weights_.

Referenced by madness::SRConf< T >::normalize().

◆ operator=() [1/2]

template<typename T >

SRConf& madness::SRConf< T >::operator= ( const SRConf< T > & rhs )

inline

assignment operator (tested), shallow copy of vectors

◆ operator=() [2/2]

template<typename T >

SRConf& madness::SRConf< T >::operator= ( const T & number )

inline

assign a number to this;

References madness::SRConf< T >::make_empty_vectors_and_weights(), madness::SRConf< T >::make_structure(), madness::SRConf< T >::normalize(), madness::SRConf< T >::vector_, and madness::SRConf< T >::weights_.

◆ rank()

template<typename T >

long madness::SRConf< T >::rank ( ) const

inline

return the logicalrank

References madness::SRConf< T >::weights_.

◆ real_size()

template<typename T >

size_t madness::SRConf< T >::real_size ( ) const

inlineprotected

return the real size of this

References madness::SRConf< T >::s1, T(), madness::SRConf< T >::vector_, and madness::SRConf< T >::weights_.

◆ reconstruct()

template<typename T >

Tensor<T> madness::SRConf< T >::reconstruct ( ) const

inline

reconstruct this to return a full tensor

References madness::conj(), madness::BaseTensor::dims(), madness::SRConf< T >::flat_vector(), madness::inner(), madness::SRConf< T >::make_left_vector_with_weights(), madness::BaseTensor::ndim(), madness::SRConf< T >::rank(), and madness::Tensor< T >::reshape().

Referenced by test_stuff().

◆ ref_vector() [1/2]

template<typename T >

Tensor<T>& madness::SRConf< T >::ref_vector ( const unsigned int & idim )

inline

return reference to one of the vectors F

References madness::SRConf< T >::vector_.

Referenced by madness::SeparatedConvolution< Q, NDIM >::apply2_lowdim(), madness::SRConf< T >::check_right_orthonormality(), and madness::SRConf< T >::transform_dir().

◆ ref_vector() [2/2]

template<typename T >

const Tensor<T>& madness::SRConf< T >::ref_vector ( const unsigned int & idim ) const

inline

return reference to one of the vectors F

References madness::SRConf< T >::vector_.

◆ scale() [1/2]

template<typename T >

void madness::SRConf< T >::scale ( const double & fac )

inlineprotected

scale this by a number

References madness::SRConf< T >::weights_.

Referenced by madness::SRConf< T >::append(), madness::SVDTensor< T >::gaxpy(), and madness::SRConf< T >::normalize().

◆ scale() [2/2]

template<typename T >

void madness::SRConf< T >::scale ( const double_complex & fac )

inlineprotected

References MADNESS_EXCEPTION.

◆ serialize()

template<typename T >

template<typename Archive >

void madness::SRConf< T >::serialize ( Archive & ar )

inline

References madness::BaseTensor::_dim, madness::BaseTensor::_id, madness::BaseTensor::_ndim, madness::BaseTensor::_size, madness::SRConf< T >::has_structure(), MADNESS_ASSERT, madness::SRConf< T >::nci_left, madness::SRConf< T >::s0, madness::SRConf< T >::s1, TENSOR_MAXDIM, madness::SRConf< T >::vector_, madness::SRConf< T >::weights_, and madness::archive::wrap().

◆ set_size_and_dim()

template<typename T >

void madness::SRConf< T >::set_size_and_dim	(	long	ndim,
		long	k
	)

inline

References madness::BaseTensor::dims(), k, madness::BaseTensor::ndim(), and madness::BaseTensor::set_dims_and_size().

◆ set_vectors_and_weights()

template<typename T >

void madness::SRConf< T >::set_vectors_and_weights	(	const Tensor< typename Tensor< T >::scalar_type > &	weights,
		const Tensor< T > &	vector1,
		const Tensor< T > &	vector2
	)

inline

References madness::SRConf< T >::make_structure(), madness::SRConf< T >::vector_, madness::SRConf< T >::weights(), and madness::SRConf< T >::weights_.

Referenced by madness::SRConf< T >::SRConf(), madness::SVDTensor< T >::compute_svd(), madness::SVDTensor< T >::compute_svd_from_range(), madness::SVDTensor< T >::concatenate(), madness::SRConf< T >::copy_slice(), madness::SRConf< T >::general_transform(), madness::SRConf< T >::get_configs(), and madness::SRConf< T >::transform().

◆ svd_normf()

template<typename T >

TensorTypeData<T>::float_scalar_type madness::SRConf< T >::svd_normf ( ) const

inlineprotected

calculate the Frobenius norm, if this is in SVD form

References madness::SRConf< T >::has_no_data(), madness::SRConf< T >::rank(), and madness::SRConf< T >::weights_.

◆ trace() [1/2]

template<typename T >

template<typename Q >

std::enable_if<(TensorTypeData<T>::iscomplex or TensorTypeData<Q>::iscomplex), TENSOR_RESULT_TYPE(T,Q)>::type friend madness::SRConf< T >::trace	(	const SRConf< T > &	rhs,
		const SRConf< Q > &	lhs
	)

inlineprotected

References MADNESS_EXCEPTION, and T().

◆ trace() [2/2]

template<typename T >

template<typename Q >

std::enable_if<!(TensorTypeData<T>::iscomplex or TensorTypeData<Q>::iscomplex) , TENSOR_RESULT_TYPE(T,Q)>::type friend madness::SRConf< T >::trace	(	const SRConf< T > &	rhs,
		const SRConf< Q > &	lhs
	)

inlineprotected

calculate the Frobenius inner product (tested)

References madness::Tensor< T >::emul(), madness::SRConf< T >::flat_vector(), madness::SRConf< T >::has_no_data(), madness::inner_result(), MADNESS_ASSERT, madness::BaseTensor::ndim(), madness::outer(), Q(), madness::SRConf< T >::rank(), madness::Tensor< T >::sum(), T(), madness::TENSOR_RESULT_TYPE(), and madness::SRConf< T >::weights_.

◆ transform()

template<typename T >

SRConf<T> madness::SRConf< T >::transform ( const Tensor< T > & c ) const

inlineprotected

result(i,j,k,...) <-- sum(i',j', k',...) t(i',j',k',...) c(i',i) c(j',j) c(k',k) ...

The input dimensions of t must all be the same .

References c, madness::SRConf< T >::copy, madness::BaseTensor::dims(), madness::SRConf< T >::has_no_data(), madness::SRConf< T >::has_structure(), madness::inner(), MADNESS_ASSERT, madness::SRConf< T >::nci_left, madness::BaseTensor::ndim(), madness::SRConf< T >::rank(), madness::SRConf< T >::set_vectors_and_weights(), madness::SRConf< T >::vector_, and madness::SRConf< T >::weights_.

◆ transform_dir()

template<typename T >

SRConf<T> madness::SRConf< T >::transform_dir	(	const Tensor< T > &	c,
		const int &	axis
	)		const

inline

References axis, c, madness::SRConf< T >::copy, madness::SRConf< T >::dim_per_vector(), madness::BaseTensor::dims(), madness::SRConf< T >::has_no_data(), madness::SRConf< T >::has_structure(), MADNESS_ASSERT, madness::SRConf< T >::nci_left, madness::BaseTensor::ndim(), madness::SRConf< T >::rank(), madness::SRConf< T >::ref_vector(), and madness::transform_dir().

◆ weights()

template<typename T >

double madness::SRConf< T >::weights ( const unsigned int & i ) const

inline

return the weight

References madness::SRConf< T >::weights_.

Referenced by madness::SRConf< T >::SRConf(), madness::SRConf< T >::append(), madness::SVDTensor< T >::concatenate(), madness::SRConf< T >::copy_slice(), madness::SRConf< T >::make_vector_with_weights(), madness::SRConf< T >::set_vectors_and_weights(), and madness::FunctionImpl< T, NDIM >::tnorm().

Friends And Related Function Documentation

◆ compatible

template<typename T >

bool compatible	(	const SRConf< T > &	lhs,
		const SRConf< T > &	rhs
	)

friend

check compatibility

Referenced by madness::SVDTensor< T >::concatenate(), and madness::SRConf< T >::emul().

◆ copy

template<typename T >

SRConf<T> copy ( const SRConf< T > & rhs )

friend

deep copy of rhs, shrink

Referenced by madness::SRConf< T >::append(), madness::SRConf< T >::copy_slice(), madness::SRConf< T >::general_transform(), madness::SRConf< T >::make_vector_with_weights(), madness::SRConf< T >::transform(), and madness::SRConf< T >::transform_dir().

◆ GenTensor< T >

template<typename T >

friend class GenTensor< T >

friend

◆ SliceLowRankTensor< T >

template<typename T >

friend class SliceLowRankTensor< T >

friend

Member Data Documentation

◆ check_orthonormality

template<typename T >

const bool madness::SRConf< T >::check_orthonormality =false

static

check orthonormality at low rank additions

Referenced by madness::SRConf< T >::add_SVD().

◆ nci_left

template<typename T >

long madness::SRConf< T >::nci_left =-1

◆ s0

template<typename T >

std::vector<Slice> madness::SRConf< T >::s0

Slice containing the actual data in each vector, ignoring "empty" configurations; will maintain contiguity of the data.

Referenced by madness::SRConf< T >::append(), madness::SRConf< T >::c0(), madness::SRConf< T >::inplace_add(), madness::SRConf< T >::make_slices(), madness::SRConf< T >::operator=(), and madness::SRConf< T >::serialize().

◆ s1

template<typename T >

std::vector<Slice> madness::SRConf< T >::s1

Referenced by madness::SRConf< T >::append(), madness::SRConf< T >::c0(), madness::SRConf< T >::inplace_add(), madness::SRConf< T >::make_slices(), madness::SRConf< T >::operator=(), madness::SRConf< T >::real_size(), and madness::SRConf< T >::serialize().

◆ vector_

template<typename T >

std::array<Tensor<T>,2> madness::SRConf< T >::vector_

for each (physical) dimension one Tensor of (logical) dimension (r,k) for vectors or (r,kprime,k) for operators

◆ weights_

template<typename T >

Tensor< typename Tensor<T>::scalar_type > madness::SRConf< T >::weights_

for each configuration the weight; length should be r

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

Public Types

Public Member Functions

Static Public Member Functions

Public Attributes

Static Public Attributes

Protected Member Functions

Private Types

Friends

Additional Inherited Members

Detailed Description

template<typename T> class madness::SRConf< T >

Member Typedef Documentation

◆ float_scalar_type

◆ scalar_type

◆ tensorT

Constructor & Destructor Documentation

◆ SRConf() [1/6]

◆ SRConf() [2/6]

◆ SRConf() [3/6]

◆ SRConf() [4/6]

◆ SRConf() [5/6]

◆ SRConf() [6/6]

◆ ~SRConf()

Member Function Documentation

◆ add_SVD()

◆ append() [1/2]

◆ append() [2/2]

◆ c0()

◆ check_dimensions()

◆ check_right_orthonormality()

◆ clear()

◆ copy_slice()

◆ dim_per_vector()

◆ emul()

◆ fillWithRandom()

◆ flat_vector() [1/2]

◆ flat_vector() [2/2]

◆ flat_vector_with_weights()

◆ general_transform()

◆ get_configs()

◆ has_data()

◆ has_no_data()

◆ has_structure()

◆ inplace_add()

◆ is_flat()

◆ kVec()

◆ make_empty_vectors_and_weights()

◆ make_left_vector_with_weights()

◆ make_slices() [1/2]

◆ make_slices() [2/2]

◆ make_structure()

◆ make_vector_dimensions()

◆ make_vector_with_weights()

◆ max_sigma()

◆ nCoeff()

◆ normalize()

◆ normf()

◆ operator=() [1/2]

◆ operator=() [2/2]

◆ rank()

◆ real_size()

◆ reconstruct()

◆ ref_vector() [1/2]

◆ ref_vector() [2/2]

◆ scale() [1/2]

◆ scale() [2/2]

◆ serialize()

◆ set_size_and_dim()

◆ set_vectors_and_weights()

◆ svd_normf()

◆ trace() [1/2]

◆ trace() [2/2]

◆ transform()

◆ transform_dir()

◆ weights()

Friends And Related Function Documentation

◆ compatible

◆ copy

◆ GenTensor< T >

◆ SliceLowRankTensor< T >

template<typename T>
class madness::SRConf< T >