madness::SRConf< T > Class Template Reference

#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
	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
	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
	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
	~SRConf ()
	dtor
void	add_SVD (const SRConf< T > &rhs, const double &thresh)
	add two orthonormal configurations, yielding an optimal SVD decomposition
void	append (const SRConf< T > &rhs, const double fac=1.0)
	append configurations of rhs to this
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
void	clear ()
SRConf< T >	copy_slice (const std::array< Slice, TENSOR_MAXDIM > &s) const
	return a slice of this (deep copy)
int	dim_per_vector (int idim) const
	return the number of physical dimensions
SRConf< T > &	emul (const SRConf< T > &other)
	perform elementwise Hadamard product
Tensor< T >	flat_vector (const unsigned int &idim)
	return shallow copy of a slice of one of the vectors, flattened to (r,kVec)
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)
Tensor< T >	flat_vector_with_weights (const int dim) const
	return flat (r,i) view of the tensor with the weights multiplied in
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?
bool	has_no_data () const
	does this have any data?
bool	has_structure () const
	return if this has a tensor structure (has not been flattened)
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
Tensor< T >	make_vector_with_weights (const int dim) const
SRConf &	operator= (const SRConf &rhs)
	assignment operator (tested), shallow copy of vectors
SRConf &	operator= (const T &number)
	assign a number to this;
long	rank () const
	return the logicalrank
Tensor< T >	reconstruct () const
	reconstruct this to return a full tensor
Tensor< T > &	ref_vector (const unsigned int &idim)
	return reference to one of the vectors F
const Tensor< T > &	ref_vector (const unsigned int &idim) const
	return reference to one of the vectors F
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
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.
long	dim (int i) const
	Returns the size of dimension i.
const long *	dims () const
	Returns the array of tensor dimensions.
long	id () const
	Returns the typeid of the tensor (c.f., TensorTypeData<T> )
bool	iscontiguous () const
	Returns true if the tensor refers to contiguous memory locations.
long	ndim () const
	Returns the number of dimensions in the tensor.
long	size () const
	Returns the number of elements in the tensor.
long	stride (int i) const
	Returns the stride associated with dimension i.
const long *	strides () const
	Returns the array of tensor strides.

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.

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
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

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

Protected Member Functions
bool	check_dimensions () const
bool	check_right_orthonormality () const
	check if the terms are orthogonal
void	fillWithRandom (const long &rank=1)
	fill this SRConf with 1 flattened random configurations (tested)
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)
bool	is_flat () const
	return if this has only one additional dimension (apart from rank)
Tensor< T >	make_left_vector_with_weights () const
void	make_slices ()
	redo the Slices for getting direct access to the configurations
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
void	normalize ()
	normalize the vectors (tested)
TensorTypeData< T >::float_scalar_type	normf () const
	calculate the Frobenius norm
size_t	real_size () const
	return the real size of this
void	scale (const double &fac)
	scale this by a number
void	scale (const double_complex &fac)
TensorTypeData< T >::float_scalar_type	svd_normf () const
	calculate the Frobenius norm, if this is in SVD form
template<typename Q >
std::enable_if<(TensorTypeData< T >::iscomplexorTensorTypeData< 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 >::iscomplexorTensorTypeData< Q >::iscomplex), TENSOR_RESULT_TYPE(T, Q)>::type friend	trace (const SRConf< T > &rhs, const SRConf< Q > &lhs)
	calculate the Frobenius inner product (tested)
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.
void	flat_inplace ()
	Reshapes the tensor inplace into 1D.
void	fusedim_inplace (long i)
	Fuses dimensions i and i+1.
void	mapdim_inplace (const std::vector< long > &map)
	General permutation of dimensions.
void	reshape_inplace (const std::vector< long > &d)
	Reshapes the tensor inplace.
void	reshape_inplace (int ndimnew, const long *d)
	Reshapes the tensor inplace.
void	set_dims_and_size (long nd, const long d[])
void	splitdim_inplace (long i, long dimi0, long dimi1)
	Splits dimension i.
void	swapdim_inplace (long i, long j)
	Swaps the dimensions.

Private Types
typedef TensorTypeData< T >::float_scalar_type	float_scalar_type
typedef Tensor< T >::scalar_type	scalar_type
	the scalar type of T

Friends
bool	compatible (const SRConf &lhs, const SRConf &rhs)
	check compatibility
SRConf< T >	copy (const SRConf< T > &rhs)
	deep copy of rhs, shrink
class	GenTensor< T >
class	SliceLowRankTensor< T >

Additional Inherited Members
Protected Attributes inherited from madness::BaseTensor
long	_dim [TENSOR_MAXDIM]
	Size of each dimension.
long	_id
	Id from TensorTypeData<T> in type_data.h.
long	_ndim
	Number of dimensions (-1=invalid; 0=no supported; >0=tensor)
long	_size
	Number of elements in the tensor.
long	_stride [TENSOR_MAXDIM]
	Increment between elements in each dimension.

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::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::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

References madness::SRConf< T >::check_orthonormality, madness::SRConf< T >::check_right_orthonormality(), madness::SRConf< T >::flat_vector(), madness::SRConf< T >::has_no_data(), madness::SRConf< T >::has_structure(), madness::SRConf< T >::kVec(), MADNESS_ASSERT, madness::SRConf< T >::make_slices(), madness::SRConf< T >::make_structure(), madness::ortho5(), madness::SRConf< T >::rank(), madness::Tensor< T >::reshape(), thresh, madness::SRConf< T >::vector_, madness::wall_time(), and madness::SRConf< T >::weights_.

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

References madness::SRConf< T >::c0(), madness::SRConf< T >::copy, madness::SRConf< T >::has_no_data(), madness::SRConf< T >::has_structure(), MADNESS_ASSERT, madness::SRConf< T >::make_slices(), madness::SRConf< T >::make_vector_dimensions(), madness::SRConf< T >::nci_left, madness::BaseTensor::ndim(), madness::SRConf< T >::rank(), madness::SRConf< T >::s0, madness::SRConf< T >::s1, madness::SRConf< T >::scale(), madness::SRConf< T >::vector_, madness::weights, and madness::SRConf< T >::weights_.

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(), and 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::inner(), madness::SRConf< T >::kVec(), norm(), madness::SRConf< T >::rank(), madness::SRConf< T >::ref_vector(), 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::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

References madness::_(), a1, madness::SRConf< T >::compatible, madness::BaseTensor::dims(), madness::SRConf< T >::flat_vector(), k, madness::SRConf< T >::kVec(), MADNESS_ASSERT, madness::SRConf< T >::make_empty_vectors_and_weights(), madness::SRConf< T >::make_structure(), madness::SRConf< T >::nci_left, madness::BaseTensor::ndim(), madness::SRConf< T >::normalize(), madness::outer(), madness::outer_result(), madness::SRConf< T >::rank(), madness::SRConf< T >::vector_, and madness::SRConf< T >::weights_.

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(), madness::Tensor< T >::reshape(), 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(), madness::Tensor< T >::reshape(), 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) ...

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::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(), madness::SRConf< T >::flat_vector(), 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(), madness::SRConf< T >::operator=(), 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 >::SRConf(), 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=(), 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::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, 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

References madness::SRConf< T >::clear(), 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_structure(), madness::SRConf< T >::nci_left, madness::BaseTensor::ndim(), madness::SRConf< T >::rank(), madness::SRConf< T >::s0, madness::SRConf< T >::s1, madness::BaseTensor::set_dims_and_size(), madness::SRConf< T >::vector_, and madness::SRConf< T >::weights_.

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_.

Referenced by madness::SRConf< T >::add_SVD(), madness::SRConf< T >::append(), madness::SRConf< T >::check_dimensions(), madness::SRConf< T >::check_right_orthonormality(), madness::SRConf< T >::copy_slice(), madness::SRConf< T >::emul(), madness::SRConf< T >::fillWithRandom(), madness::SRConf< T >::flat_vector(), madness::SRConf< T >::flat_vector(), madness::SRConf< T >::flat_vector_with_weights(), madness::SRConf< T >::general_transform(), madness::SRConf< T >::get_configs(), madness::SRConf< T >::inplace_add(), madness::SRConf< T >::make_empty_vectors_and_weights(), madness::SRConf< T >::make_slices(), madness::SRConf< T >::make_slices(), madness::SRConf< T >::make_structure(), madness::SRConf< T >::make_vector_dimensions(), madness::SRConf< T >::make_vector_with_weights(), madness::SRConf< T >::max_sigma(), madness::SRConf< T >::normalize(), madness::SRConf< T >::normf(), madness::SRConf< T >::operator=(), madness::SVDTensor< T >::rank(), madness::SRConf< T >::reconstruct(), madness::SRConf< T >::svd_normf(), madness::SRConf< T >::trace(), madness::SRConf< T >::transform(), and madness::SRConf< T >::transform_dir().

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::weights, and madness::SRConf< T >::weights_.

Referenced by madness::SRConf< T >::SRConf(), 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 >::iscomplexorTensorTypeData< 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 >::iscomplexorTensorTypeData< 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(), 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::FunctionImpl< T, NDIM >::tnorm().

Friends And Related Symbol 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

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

Referenced by madness::SRConf< T >::SRConf(), madness::SRConf< T >::append(), madness::SRConf< T >::check_dimensions(), madness::SVDTensor< T >::concatenate(), madness::SRConf< T >::copy_slice(), madness::SRConf< T >::emul(), madness::SRConf< T >::general_transform(), madness::SRConf< T >::get_configs(), madness::SRConf< T >::inplace_add(), madness::SRConf< T >::make_empty_vectors_and_weights(), madness::SRConf< T >::make_slices(), madness::SRConf< T >::make_slices(), madness::SRConf< T >::make_structure(), madness::SRConf< T >::make_vector_dimensions(), madness::SRConf< T >::operator=(), madness::SRConf< T >::serialize(), madness::SRConf< T >::transform(), and madness::SRConf< T >::transform_dir().

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

Referenced by madness::SRConf< T >::add_SVD(), madness::SRConf< T >::append(), madness::SRConf< T >::check_dimensions(), madness::SRConf< T >::clear(), madness::SRConf< T >::copy_slice(), madness::SRConf< T >::dim_per_vector(), madness::SRConf< T >::emul(), madness::SRConf< T >::fillWithRandom(), madness::SRConf< T >::flat_vector(), madness::SRConf< T >::flat_vector(), madness::SRConf< T >::flat_vector_with_weights(), madness::SRConf< T >::general_transform(), madness::SRConf< T >::has_structure(), madness::SRConf< T >::inplace_add(), madness::SRConf< T >::is_flat(), madness::SRConf< T >::kVec(), madness::SRConf< T >::make_empty_vectors_and_weights(), madness::SRConf< T >::make_structure(), madness::SRConf< T >::make_vector_with_weights(), madness::SRConf< T >::nCoeff(), madness::SRConf< T >::normalize(), madness::SRConf< T >::operator=(), madness::SRConf< T >::operator=(), madness::SRConf< T >::real_size(), madness::SRConf< T >::ref_vector(), madness::SRConf< T >::ref_vector(), madness::SRConf< T >::serialize(), madness::SRConf< T >::set_vectors_and_weights(), and madness::SRConf< T >::transform().

weights_

template<typename T >

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

for each configuration the weight; length should be r

Referenced by madness::SRConf< T >::add_SVD(), madness::SRConf< T >::append(), madness::SRConf< T >::clear(), madness::SRConf< T >::copy_slice(), madness::SRConf< T >::emul(), madness::SRConf< T >::fillWithRandom(), madness::SRConf< T >::general_transform(), madness::SRConf< T >::get_configs(), madness::SRConf< T >::inplace_add(), madness::SRConf< T >::make_empty_vectors_and_weights(), madness::SRConf< T >::nCoeff(), madness::SRConf< T >::normalize(), madness::SRConf< T >::normf(), madness::SRConf< T >::operator=(), madness::SRConf< T >::operator=(), madness::SRConf< T >::rank(), madness::SRConf< T >::real_size(), madness::SRConf< T >::scale(), madness::SRConf< T >::serialize(), madness::SRConf< T >::set_vectors_and_weights(), madness::SRConf< T >::svd_normf(), madness::SRConf< T >::trace(), madness::SRConf< T >::transform(), and madness::SRConf< T >::weights().

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

• gentensor.h
• srconf.h