A tensor is a multidimension array. More...

#include <tensor.h>

Inheritance diagram for madness::Tensor< T >:

[legend]

Collaboration diagram for madness::Tensor< T >:

Public Types
typedef TensorTypeData< T >::float_scalar_type	float_scalar_type
	C++ typename of the floating point type associated with scalar real type. More...

typedef TensorTypeData< T >::scalar_type	scalar_type
	C++ typename of the real type associated with a complex type. More...

typedef T	type
	C++ typename of this tensor. More...

Public Member Functions
	Tensor ()
	Default constructor does not allocate any data and sets ndim=-1, size=0, _p=0, and id. More...

	Tensor (const std::vector< long > &d, bool dozero=true)
	Create and optionally zero new n-d tensor. This is the most general constructor. More...

	Tensor (const Tensor< T > &t)
	Copy constructor is shallow (same as assignment) More...

	Tensor (long d0)
	Create and zero new 1-d tensor. More...

	Tensor (long d0, long d1)
	Create and zero new 2-d tensor. More...

	Tensor (long d0, long d1, long d2)
	Create and zero new 3-d tensor. More...

	Tensor (long d0, long d1, long d2, long d3)
	Create and zero new 4-d tensor. More...

	Tensor (long d0, long d1, long d2, long d3, long d4)
	Create and zero new 5-d tensor. More...

	Tensor (long d0, long d1, long d2, long d3, long d4, long d5)
	Create and zero new 6-d tensor. More...

	Tensor (long nd, const long d[], bool dozero=true)
	Politically incorrect general constructor. More...

virtual	~Tensor ()

scalar_type	absmax (long *ind=0) const
	Return the absolute maximum value (and if ind is non-null, its index) in the Tensor. More...

scalar_type	absmin (long *ind=0) const
	Return the absolute minimum value (and if ind is non-null, its index) in the Tensor. More...

BaseTensor *	base ()
	Returns a pointer to the base class. More...

const BaseTensor *	base () const
	Returns a pointer to the base class. More...

template<class Q >
TensorIterator< T, Q >	binary_iterator (const Tensor< Q > &q, long iterlevel=0, bool optimize=true, bool fusedim=true, long jdim=default_jdim) const
	Return iterator over two tensors. More...

void	clear ()
	Frees all memory and resests to state of default constructor. More...

template<class Q >
bool	conforms (const Tensor< Q > &t) const
	Test if `*this` and `t` conform. More...

Tensor< T > &	conj ()
	Inplace complex conjugate. More...

Tensor< T >	cycledim (long nshift, long start, long end)
	Returns new view/tensor cycling the sub-dimensions `(start,...,end)` with `shift` steps. More...

const Tensor< T >	cycledim (long nshift, long start, long end) const
	Returns new view/tensor cycling the sub-dimensions `(start,...,end)` with `shift` steps. More...

Tensor< T > &	emul (const Tensor< T > &t)
	Inplace multiply by corresponding elements of argument Tensor. More...

const TensorIterator< T > &	end () const
	End point for forward iteration. More...

Tensor< T > &	fill (T x)
	Inplace fill with a scalar (legacy name) More...

Tensor< T > &	fillindex ()
	Inplace fill with the index of each element. More...

Tensor< T > &	fillrandom ()
	Inplace fill with random values ( [0,1] for floats, [0,MAXSIZE] for integers) More...

Tensor< T >	flat ()
	Returns new view/tensor rehshaping to flat (1-d) tensor. More...

const Tensor< T >	flat () const
	Returns new view/tensor rehshaping to flat (1-d) tensor. More...

Tensor< T >	fusedim (long i)
	Returns new view/tensor fusing contiguous dimensions `i` and `i+1`. More...

const Tensor< T >	fusedim (long i) const
	Returns new view/tensor fusing contiguous dimensions `i` and `i+1`. More...

Tensor< T > &	gaxpy (T alpha, const Tensor< T > &t, T beta)
	Inplace generalized saxpy ... this = thisalpha + otherbeta. More...

bool	has_data () const

Tensor< T >	mapdim (const std::vector< long > &map)
	Returns new view/tensor permuting the dimensions. More...

const Tensor< T >	mapdim (const std::vector< long > &map) const
	Returns new view/tensor permuting the dimensions. More...

float_complex	max (long *ind) const

double_complex	max (long *ind) const

float_complex	max (long *ind) const

double_complex	max (long *ind) const

T	max (long *ind=0) const
	Return the maximum value (and if ind is non-null, its index) in the Tensor. More...

float_complex	min (long *ind) const

double_complex	min (long *ind) const

float_complex	min (long *ind) const

double_complex	min (long *ind) const

T	min (long *ind=0) const
	Return the minimum value (and if ind is non-null, its index) in the Tensor. More...

float_scalar_type	normf () const
	Returns the Frobenius norm of the tensor. More...

template<class Q >
	operator Tensor< Q > () const
	Type conversion makes a deep copy. More...

T &	operator() (const long ind[])
	Politically incorrect general indexing operation without bounds checking. More...

const T &	operator() (const long ind[]) const
	Politically incorrect general indexing operation without bounds checking. More...

SliceTensor< T >	operator() (const Slice &s0)
	Return a 1d SliceTensor that views the specified range of the 1d Tensor. More...

const Tensor< T >	operator() (const Slice &s0) const
	Return a 1d SliceTensor that views the specified range of the 1d Tensor. More...

SliceTensor< T >	operator() (const Slice &s0, const Slice &s1)
	Return a 2d SliceTensor that views the specified range of the 2d Tensor. More...

const Tensor< T >	operator() (const Slice &s0, const Slice &s1) const
	Return a 2d constant Tensor that views the specified range of the 2d Tensor. More...

SliceTensor< T >	operator() (const Slice &s0, const Slice &s1, const Slice &s2)
	Return a 3d SliceTensor that views the specified range of the 3d Tensor. More...

const Tensor< T >	operator() (const Slice &s0, const Slice &s1, const Slice &s2) const
	Return a 3d constant Tensor that views the specified range of the 3d Tensor. More...

SliceTensor< T >	operator() (const Slice &s0, const Slice &s1, const Slice &s2, const Slice &s3)
	Return a 1-4d SliceTensor that views the specified range of the 4d Tensor. More...

const Tensor< T >	operator() (const Slice &s0, const Slice &s1, const Slice &s2, const Slice &s3) const
	Return a 1-4d constant Tensor that views the specified range of the 4d Tensor. More...

SliceTensor< T >	operator() (const Slice &s0, const Slice &s1, const Slice &s2, const Slice &s3, const Slice &s4)
	Return a 1-5d SliceTensor that views the specified range of the 5d Tensor. More...

const Tensor< T >	operator() (const Slice &s0, const Slice &s1, const Slice &s2, const Slice &s3, const Slice &s4) const
	Return a 1-5d constant Tensor that views the specified range of the 5d Tensor. More...

SliceTensor< T >	operator() (const Slice &s0, const Slice &s1, const Slice &s2, const Slice &s3, const Slice &s4, const Slice &s5)
	Return a 1-6d SliceTensor that views the specified range of the 6d Tensor. More...

const Tensor< T >	operator() (const Slice &s0, const Slice &s1, const Slice &s2, const Slice &s3, const Slice &s4, const Slice &s5) const
	Return a 1-6d constant Tensor that views the specified range of the 6d Tensor. More...

SliceTensor< T >	operator() (const Slice &s0, const Slice &s1, long k)
	Return a 2d SliceTensor that views the specified range of the 3d Tensor. More...

const Tensor< T >	operator() (const Slice &s0, const Slice &s1, long k) const
	Return a 2d constant Tensor that views the specified range of the 3d Tensor. More...

SliceTensor< T >	operator() (const Slice &s0, long j)
	Return a 1d SliceTensor that views the specified range of the 2d Tensor. More...

const Tensor< T >	operator() (const Slice &s0, long j) const
	Return a 1d constant Tensor that views the specified range of the 2d Tensor. More...

SliceTensor< T >	operator() (const Slice &s0, long j, const Slice &s2)
	Return a 2d SliceTensor that views the specified range of the 3d Tensor. More...

const Tensor< T >	operator() (const Slice &s0, long j, const Slice &s2) const
	Return a 2d constant Tensor that views the specified range of the 3d Tensor. More...

SliceTensor< T >	operator() (const Slice &s0, long j, long k)
	Return a 1d SliceTensor that views the specified range of the 3d Tensor. More...

const Tensor< T >	operator() (const Slice &s0, long j, long k) const
	Return a 1d constant Tensor that views the specified range of the 3d Tensor. More...

SliceTensor< T >	operator() (const std::array< Slice, TENSOR_MAXDIM > &s)
	General slicing operation. More...

const Tensor< T >	operator() (const std::array< Slice, TENSOR_MAXDIM > &s) const
	General slicing operation (const) More...

T &	operator() (const std::vector< long > ind)
	General indexing operation with bounds checking. More...

const T &	operator() (const std::vector< long > ind) const
	General indexing operation with bounds checking. More...

SliceTensor< T >	operator() (const std::vector< Slice > &s)
	General slicing operation. More...

const Tensor< T >	operator() (const std::vector< Slice > &s) const
	General slicing operation (const) More...

T &	operator() (long i)
	1-d indexing operation without bounds checking. More...

const T &	operator() (long i) const
	1-d indexing operation without bounds checking. More...

SliceTensor< T >	operator() (long i, const Slice &s1)
	Return a 1d SliceTensor that views the specified range of the 2d Tensor. More...

const Tensor< T >	operator() (long i, const Slice &s1) const
	Return a 1d SliceTensor that views the specified range of the 2d Tensor. More...

SliceTensor< T >	operator() (long i, const Slice &s1, const Slice &s2)
	Return a 2d SliceTensor that views the specified range of the 3d Tensor. More...

const Tensor< T >	operator() (long i, const Slice &s1, const Slice &s2) const
	Return a 2d constant Tensor that views the specified range of the 3d Tensor. More...

SliceTensor< T >	operator() (long i, const Slice &s1, long k)
	Return a 1d SliceTensor that views the specified range of the 3d Tensor. More...

const Tensor< T >	operator() (long i, const Slice &s1, long k) const
	Return a 1d constant Tensor that views the specified range of the 3d Tensor. More...

T &	operator() (long i, long j)
	2-d indexing operation without bounds checking. More...

const T &	operator() (long i, long j) const
	2-d indexing operation without bounds checking. More...

SliceTensor< T >	operator() (long i, long j, const Slice &s2)
	Return a 1d SliceTensor that views the specified range of the 3d Tensor. More...

const Tensor< T >	operator() (long i, long j, const Slice &s2) const
	Return a 1d constant Tensor that views the specified range of the 3d Tensor. More...

T &	operator() (long i, long j, long k)
	3-d indexing operation without bounds checking. More...

const T &	operator() (long i, long j, long k) const
	3-d indexing operation without bounds checking. More...

T &	operator() (long i, long j, long k, long l)
	4-d indexing operation without bounds checking. More...

const T &	operator() (long i, long j, long k, long l) const
	4-d indexing operation without bounds checking. More...

T &	operator() (long i, long j, long k, long l, long m)
	5-d indexing operation without bounds checking. More...

const T &	operator() (long i, long j, long k, long l, long m) const
	5-d indexing operation without bounds checking. More...

T &	operator() (long i, long j, long k, long l, long m, long n)
	6-d indexing operation without bounds checking. More...

const T &	operator() (long i, long j, long k, long l, long m, long n) const
	6-d indexing operation without bounds checking. More...

template<typename Q >
IsSupported< TensorTypeData< Q >, Tensor< TENSOR_RESULT_TYPE(T, Q)> >::type	operator* (const Q &x) const
	Multiplication of tensor by a scalar of a supported type to produce a new tensor. More...

template<typename Q >
IsSupported< TensorTypeData< Q >, Tensor< T > & >::type	operator*= (const Q &x)
	Inplace multiplication by scalar of supported type. More...

template<typename Q >
IsSupported< TensorTypeData< Q >, Tensor< TENSOR_RESULT_TYPE(T, Q)> >::type	operator+ (const Q &x) const
	Add a scalar of the same type to all elements of a tensor producing a new tensor. More...

template<typename Q >
Tensor< TENSOR_RESULT_TYPE(T, Q) >	operator+ (const Tensor< Q > &t) const
	Addition of two tensors to produce a new tensor. More...

template<typename Q >
IsSupported< TensorTypeData< Q >, Tensor< T > & >::type	operator+= (const Q &x)
	Inplace increment by scalar of supported type. More...

template<typename Q >
Tensor< T > &	operator+= (const Tensor< Q > &t)
	Inplace addition of two tensors. More...

Tensor< T >	operator- () const
	Unary negation producing a new tensor. More...

template<typename Q >
IsSupported< TensorTypeData< Q >, Tensor< TENSOR_RESULT_TYPE(T, Q)> >::type	operator- (const Q &x) const
	Subtract a scalar of the same type from all elements producing a new tensor. More...

template<typename Q >
Tensor< TENSOR_RESULT_TYPE(T, Q) >	operator- (const Tensor< Q > &t) const
	Subtraction of two tensors to produce a new tensor. More...

template<typename Q >
IsSupported< TensorTypeData< Q >, Tensor< T > & >::type	operator-= (const Q &x)
	Inplace decrement by scalar of supported type. More...

template<typename Q >
Tensor< T > &	operator-= (const Tensor< Q > &t)
	Inplace subtraction of two tensors. More...

template<typename Q >
IsSupported< TensorTypeData< Q >, Tensor< TENSOR_RESULT_TYPE(T, Q)> >::type	operator/ (const Q &x) const
	Divide tensor by a scalar of a supported type to produce a new tensor. More...

Tensor< T > &	operator= (const Tensor< T > &t)
	Assignment is shallow (same as copy constructor) More...

Tensor< T > &	operator= (T x)
	Inplace fill tensor with scalar. More...

T &	operator[] (long i)
	1-d indexing operation using [] without bounds checking. More...

const T &	operator[] (long i) const
	1-d indexing operation using [] without bounds checking. More...

T	product () const
	Return the product of all elements of the tensor. More...

T *	ptr ()
	Returns a pointer to the internal data. More...

const T *	ptr () const
	Returns a pointer to the internal data. More...

Tensor< T >	reshape (const std::vector< long > &d)
	Returns new view/tensor reshaping size/number of dimensions to conforming tensor. More...

const Tensor< T >	reshape (const std::vector< long > &d) const
	Returns new view/tensor reshaping size/number of dimensions to conforming tensor. More...

Tensor< T >	reshape (int ndimnew, const long *d)
	Returns new view/tensor reshaping size/number of dimensions to conforming tensor. More...

const Tensor< T >	reshape (int ndimnew, const long *d) const
	Returns new view/tensor reshaping size/number of dimensions to conforming tensor. More...

Tensor< T >	reshape (long dim0)
	Returns new view/tensor rehapings to conforming 1-d tensor with given dimension. More...

const Tensor< T >	reshape (long dim0) const
	Returns new view/tensor rehapings to conforming 1-d tensor with given dimension. More...

Tensor< T >	reshape (long dim0, long dim1)
	Returns new view/tensor rehaping to conforming 2-d tensor with given dimensions. More...

const Tensor< T >	reshape (long dim0, long dim1) const
	Returns new view/tensor rehaping to conforming 2-d tensor with given dimensions. More...

Tensor< T >	reshape (long dim0, long dim1, long dim2)
	Returns new view/tensor rehaping to conforming 3-d tensor with given dimensions. More...

const Tensor< T >	reshape (long dim0, long dim1, long dim2) const
	Returns new view/tensor rehaping to conforming 3-d tensor with given dimensions. More...

Tensor< T >	reshape (long dim0, long dim1, long dim2, long dim3)
	Returns new view/tensor rehaping to conforming 4-d tensor with given dimensions. More...

const Tensor< T >	reshape (long dim0, long dim1, long dim2, long dim3) const
	Returns new view/tensor rehaping to conforming 4-d tensor with given dimensions. More...

Tensor< T >	reshape (long dim0, long dim1, long dim2, long dim3, long dim4)
	Returns new view/tensor rehaping to conforming 5-d tensor with given dimensions. More...

const Tensor< T >	reshape (long dim0, long dim1, long dim2, long dim3, long dim4) const
	Returns new view/tensor rehaping to conforming 5-d tensor with given dimensions. More...

Tensor< T >	reshape (long dim0, long dim1, long dim2, long dim3, long dim4, long dim5)
	Returns new view/tensor rehaping to conforming 6-d tensor with given dimensions. More...

const Tensor< T >	reshape (long dim0, long dim1, long dim2, long dim3, long dim4, long dim5) const
	Returns new view/tensor rehaping to conforming 6-d tensor with given dimensions. More...

template<typename Q >
IsSupported< TensorTypeData< Q >, Tensor< T > & >::type	scale (Q x)
	Inplace multiplication by scalar of supported type (legacy name) More...

Tensor< T > &	screen (double x)
	Inplace set elements of `*this` less than `x` in absolute magnitude to zero. More...

Tensor< T >	splitdim (long i, long dimi0, long dimi1)
	Returns new view/tensor splitting dimension `i` as `dimi0*dimi1` to produce conforming d+1 dimension tensor. More...

const Tensor< T >	splitdim (long i, long dimi0, long dimi1) const
	Returns new view/tensor splitting dimension `i` as `dimi0*dimi1` to produce conforming d+1 dimension tensor. More...

T	sum () const
	Returns the sum of all elements of the tensor. More...

T	sumsq () const
	Returns the sum of the squares of the elements. More...

Tensor< T >	swapdim (long idim, long jdim)
	Returns new view/tensor swaping dimensions `i` and `j`. More...

const Tensor< T >	swapdim (long idim, long jdim) const
	Returns new view/tensor swaping dimensions `i` and `j`. More...

template<class Q >
	TENSOR_RESULT_TYPE (T, Q) trace_conj(const Tensor< Q > &t) const
	Return the trace of two tensors with complex conjugate of the leftmost (i.e., this) More...

template<class Q , class R >
TensorIterator< T, Q, R >	ternary_iterator (const Tensor< Q > &q, const Tensor< R > &r, long iterlevel=0, bool optimize=true, bool fusedim=true, long jdim=default_jdim) const
	Return iterator over three tensors. More...

T	trace (const Tensor< T > &t) const
	Return the trace of two tensors (no complex conjugate invoked) More...

TensorIterator< T >	unary_iterator (long iterlevel=0, bool optimize=true, bool fusedim=true, long jdim=default_jdim) const
	Return iterator over single tensor. More...

template<typename opT >
Tensor< T > &	unaryop (opT &op)
	Inplace apply a unary function to each element of the tensor. 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 bool	bounds_checking ()
	Return true if bounds checking was enabled at compile time. More...

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...

Protected Member Functions
void	allocate (long nd, const long d[], bool dozero)

void	deallocate ()

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...

Protected Attributes
T *MADNESS_RESTRICT	_p

TENSOR_SHARED_PTR< T >	_shptr

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...

Friends
template<class U >
class	SliceTensor

Detailed Description

template<class T>
class madness::Tensor< T >

A tensor is a multidimension array.

Member Typedef Documentation

◆ float_scalar_type

template<class T >

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

C++ typename of the floating point type associated with scalar real type.

◆ scalar_type

template<class T >

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

C++ typename of the real type associated with a complex type.

◆ type

template<class T >

typedef T madness::Tensor< T >::type

C++ typename of this tensor.

Constructor & Destructor Documentation

◆ Tensor() [1/10]

template<class T >

madness::Tensor< T >::Tensor ( )

inline

Default constructor does not allocate any data and sets ndim=-1, size=0, _p=0, and id.

References madness::BaseTensor::_id.

◆ Tensor() [2/10]

template<class T >

madness::Tensor< T >::Tensor ( const Tensor< T > & t )

inline

Copy constructor is shallow (same as assignment)

Caveat emptor: The shallow copy constructor has many virtues but enables you to violate constness with simple code such as

const Tensor<double> a(5);
Tensor<double> b(a);
b[1] = 3; // a[1] is now also 3

References madness::BaseTensor::_id.

◆ Tensor() [3/10]

template<class T >

madness::Tensor< T >::Tensor ( long d0 )

inlineexplicit

Create and zero new 1-d tensor.

Parameters

[in] d0 Size of dimension 0

References madness::BaseTensor::_dim, and madness::Tensor< T >::allocate().

◆ Tensor() [4/10]

template<class T >

madness::Tensor< T >::Tensor	(	long	d0,
		long	d1
	)

inlineexplicit

Create and zero new 2-d tensor.

Parameters

[in]	d0	Size of dimension 0
[in]	d1	Size of dimension 1

References madness::BaseTensor::_dim, and madness::Tensor< T >::allocate().

◆ Tensor() [5/10]

template<class T >

madness::Tensor< T >::Tensor	(	long	d0,
		long	d1,
		long	d2
	)

inlineexplicit

Create and zero new 3-d tensor.

Parameters

[in]	d0	Size of dimension 0
[in]	d1	Size of dimension 1
[in]	d2	Size of dimension 2

References madness::BaseTensor::_dim, and madness::Tensor< T >::allocate().

◆ Tensor() [6/10]

template<class T >

madness::Tensor< T >::Tensor	(	long	d0,
		long	d1,
		long	d2,
		long	d3
	)

inlineexplicit

Create and zero new 4-d tensor.

Parameters

[in]	d0	Size of dimension 0
[in]	d1	Size of dimension 1
[in]	d2	Size of dimension 2
[in]	d3	Size of dimension 3

References madness::BaseTensor::_dim, and madness::Tensor< T >::allocate().

◆ Tensor() [7/10]

template<class T >

madness::Tensor< T >::Tensor	(	long	d0,
		long	d1,
		long	d2,
		long	d3,
		long	d4
	)

inlineexplicit

Create and zero new 5-d tensor.

Parameters

[in]	d0	Size of dimension 0
[in]	d1	Size of dimension 1
[in]	d2	Size of dimension 2
[in]	d3	Size of dimension 3
[in]	d4	Size of dimension 4

References madness::BaseTensor::_dim, and madness::Tensor< T >::allocate().

◆ Tensor() [8/10]

template<class T >

madness::Tensor< T >::Tensor	(	long	d0,
		long	d1,
		long	d2,
		long	d3,
		long	d4,
		long	d5
	)

inlineexplicit

Create and zero new 6-d tensor.

Parameters

[in]	d0	Size of dimension 0
[in]	d1	Size of dimension 1
[in]	d2	Size of dimension 2
[in]	d3	Size of dimension 3
[in]	d4	Size of dimension 4
[in]	d5	Size of dimension 5

References madness::BaseTensor::_dim, and madness::Tensor< T >::allocate().

◆ Tensor() [9/10]

template<class T >

madness::Tensor< T >::Tensor	(	const std::vector< long > &	d,
		bool	dozero = `true`
	)

inlineexplicit

Create and optionally zero new n-d tensor. This is the most general constructor.

Parameters

[in]	d	Vector containing size of each dimension, number of dimensions inferred from vector size.
[in]	dozero	If true (default) the tensor is initialized to zero

References madness::Tensor< T >::allocate(), and d().

◆ Tensor() [10/10]

template<class T >

madness::Tensor< T >::Tensor	(	long	nd,
		const long	d[],
		bool	dozero = `true`
	)

inlineexplicit

Politically incorrect general constructor.

Parameters

[in]	nd	Number of dimensions
[in]	d	Size of each dimension
[in]	dozero	If true (default) the tensor is initialized to zero

References madness::Tensor< T >::allocate(), and d().

◆ ~Tensor()

template<class T >

virtual madness::Tensor< T >::~Tensor ( )

inlinevirtual

Member Function Documentation

◆ absmax()

template<class T >

scalar_type madness::Tensor< T >::absmax ( long * ind = 0 ) const

inline

Return the absolute maximum value (and if ind is non-null, its index) in the Tensor.

References madness::BaseTensor::_ndim, std::abs(), T(), UNARY_OPTIMIZED_ITERATOR, and UNARY_UNOPTIMIZED_ITERATOR.

Referenced by madness::projector_irrep::apply_symmetry_operators(), madness::LowRankFunction< T, NDIM, LDIM >::check_orthonormality(), madness::Solver< T, NDIM >::do_rhs(), madness::Solver< T, NDIM >::do_rhs_simple(), fixphases(), madness::Nemo::hessian(), madness::OEP::iterate(), madness::density_mask_operator::operator()(), madness::MolecularOptimizer::optimize_quasi_newton(), madness::ortho3(), madness::ortho5(), madness::apply_kernel_helper::slater_apply(), madness::Nemo::solve(), and madness::Nemo::solve_cphf().

◆ absmin()

template<class T >

scalar_type madness::Tensor< T >::absmin ( long * ind = 0 ) const

inline

Return the absolute minimum value (and if ind is non-null, its index) in the Tensor.

References madness::BaseTensor::_ndim, std::abs(), T(), UNARY_OPTIMIZED_ITERATOR, and UNARY_UNOPTIMIZED_ITERATOR.

◆ allocate()

template<class T >

void madness::Tensor< T >::allocate	(	long	nd,
		const long	d[],
		bool	dozero
	)

inlineprotected

References madness::BaseTensor::_id, madness::BaseTensor::_ndim, madness::Tensor< T >::_p, madness::Tensor< T >::_shptr, madness::BaseTensor::_size, madness::aligned_zero(), d(), MADNESS_PRAGMA_GCC, madness::pop(), posix_memalign(), madness::BaseTensor::set_dims_and_size(), T(), TENSOR_ALIGNMENT, TENSOR_ASSERT, TENSOR_EXCEPTION, and TENSOR_MAXDIM.

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

◆ base() [1/2]

template<class T >

BaseTensor* madness::Tensor< T >::base ( )

inline

Returns a pointer to the base class.

◆ base() [2/2]

template<class T >

const BaseTensor* madness::Tensor< T >::base ( ) const

inline

Returns a pointer to the base class.

◆ binary_iterator()

template<class T >

template<class Q >

TensorIterator<T,Q> madness::Tensor< T >::binary_iterator	(	const Tensor< Q > &	q,
		long	iterlevel = `0`,
		bool	optimize = `true`,
		bool	fusedim = `true`,
		long	jdim = `default_jdim`
	)		const

inline

Return iterator over two tensors.

References madness::Tensor< T >::fusedim(), and q().

◆ bounds_checking()

template<class T >

static bool madness::Tensor< T >::bounds_checking ( )

inlinestatic

Return true if bounds checking was enabled at compile time.

Returns: True if bounds checking was enabled at compile time

Referenced by main().

◆ clear()

template<class T >

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

inline

Frees all memory and resests to state of default constructor.

References madness::Tensor< T >::deallocate().

Referenced by madness::PNO::compute_cispd_fluctuation_matrix(), madness::MP2::enforce_core_valence_separation(), madness::MolecularOrbitals< T, NDIM >::invalidate_eps(), madness::MolecularOrbitals< T, NDIM >::invalidate_occ(), madness::ortho3(), madness::ortho5(), and madness::MolecularOrbitals< T, NDIM >::write_to().

◆ conforms()

template<class T >

template<class Q >

bool madness::Tensor< T >::conforms ( const Tensor< Q > & t ) const

inline

Test if *this and t conform.

References madness::BaseTensor::conforms().

Referenced by madness::TensorIterator< T, Q, R >::TensorIterator().

◆ conj()

template<class T >

Tensor<T>& madness::Tensor< T >::conj ( )

inline

Inplace complex conjugate.

Returns: Reference to this tensor

References madness::conditional_conj(), T(), and UNARY_OPTIMIZED_ITERATOR.

Referenced by madness::FunctionImpl< T, NDIM >::do_inner_localX(), and madness::Function< T, NDIM >::doconj().

◆ cycledim() [1/2]

template<class T >

Tensor<T> madness::Tensor< T >::cycledim	(	long	nshift,
		long	start,
		long	end
	)

inline

Returns new view/tensor cycling the sub-dimensions (start,...,end) with shift steps.

References madness::BaseTensor::cycledim_inplace(), and madness::Tensor< T >::end().

Referenced by madness::apply(), and madness::Derivative< T, NDIM >::do_diff2b().

◆ cycledim() [2/2]

template<class T >

const Tensor<T> madness::Tensor< T >::cycledim	(	long	nshift,
		long	start,
		long	end
	)		const

inline

Returns new view/tensor cycling the sub-dimensions (start,...,end) with shift steps.

References madness::BaseTensor::cycledim_inplace(), and madness::Tensor< T >::end().

◆ deallocate()

template<class T >

void madness::Tensor< T >::deallocate ( )

inlineprotected

References madness::BaseTensor::_ndim, madness::Tensor< T >::_p, madness::Tensor< T >::_shptr, and madness::BaseTensor::_size.

Referenced by madness::Tensor< T >::clear().

◆ emul()

template<class T >

Tensor<T>& madness::Tensor< T >::emul ( const Tensor< T > & t )

inline

Inplace multiply by corresponding elements of argument Tensor.

References BINARY_OPTIMIZED_ITERATOR, and T().

Referenced by madness::Nemo::compute_IR_intensities(), madness::FunctionImpl< T, NDIM >::dirac_convolution_op(), madness::SRConf< T >::normf(), madness::guessfactory::ExopUnaryOpStructure::operator()(), YetAnotherWrapperClass::operator()(), madness::FunctionImpl< T, NDIM >::project_out_op< LDIM >::operator()(), madness::detail::abssqop< NDIM >::operator()(), madness::UnaryOpStructure< NDIM >::operator()(), madness::detail::squareinplace< T, NDIM >::operator()(), madness::detail::abssquareinplace< T, NDIM >::operator()(), madness::FunctionImpl< T, NDIM >::pointwise_multiplier< LDIM >::operator()(), madness::ortho5(), madness::apply_kernel_helper::slater_apply(), test_emul(), and madness::SRConf< T >::trace().

◆ end()

template<class T >

const TensorIterator<T>& madness::Tensor< T >::end ( ) const

inline

End point for forward iteration.

Referenced by madness::SliceTensor< T >::SliceTensor(), MySteepestDescent::check_positive(), madness::Tensor< T >::cycledim(), madness::FunctionImpl< T, NDIM >::do_print_plane(), madness::operator<<(), and madness::outer_result().

◆ fill()

template<class T >

Tensor<T>& madness::Tensor< T >::fill ( T x )

inline

Inplace fill with a scalar (legacy name)

Parameters

[in] x Value used to fill tensor via assigment

Returns: Reference to this tensor

Referenced by madness::exchange_anchor_test(), exchange_anchor_test(), main(), madness::divide_add_interpolate::operator()(), madness::MolecularOptimizer::optimize_conjugate_gradients(), Test7(), madness::test_exchange(), test_exchange(), and madness::FunctionImpl< T, NDIM >::tnorm().

◆ fillindex()

template<class T >

Tensor<T>& madness::Tensor< T >::fillindex ( )

inline

Inplace fill with the index of each element.

Each element is assigned it's logical index according to this loop structure

Tensor<float> t(5,6,7,...)
long index=0;
for (long i=0; i<_dim[0]; ++i)
   for (long j=0; j<_dim[1]; ++j)
      for (long k=0; k<_dim[2]; ++k)
         ...
         tensor(i,j,k,...) = index++

Returns: Reference to this tensor

References T(), and UNARY_UNOPTIMIZED_ITERATOR.

Referenced by Test1().

◆ fillrandom()

template<class T >

Tensor<T>& madness::Tensor< T >::fillrandom ( )

inline

Inplace fill with random values ( [0,1] for floats, [0,MAXSIZE] for integers)

Returns: Reference to this tensor

References madness::BaseTensor::iscontiguous(), madness::Tensor< T >::ptr(), madness::BaseTensor::size(), T(), and UNARY_OPTIMIZED_ITERATOR.

Referenced by madness::RandomizedMatrixDecomposition< T >::do_compute_range(), main(), madness::Localizer::matrix_exponential(), Test1(), Test7(), test_addition(), test_constructor(), test_convert(), test_emul(), test_general_transform(), madness::test_qr(), test_reconstruct(), test_reduce_rank(), test_sliced_addition(), and test_sliced_assignment().

◆ flat() [1/2]

template<class T >

Tensor<T> madness::Tensor< T >::flat ( )

inline

Returns new view/tensor rehshaping to flat (1-d) tensor.

References madness::BaseTensor::_size, d(), and madness::Tensor< T >::reshape().

Referenced by madness::TensorTrain< T >::TensorTrain(), main(), madness::FunctionImpl< T, NDIM >::project_out_op< LDIM >::operator()(), madness::MolecularEnergy::output_calc_info_schema(), madness::FunctionImpl< T, NDIM >::partial_inner_contract(), madness::rank_revealing_decompose(), run_all_calculations(), test_read_restartaodata(), test_read_restartdata(), and madness::TensorTrain< T >::truncate().

◆ flat() [2/2]

template<class T >

const Tensor<T> madness::Tensor< T >::flat ( ) const

inline

Returns new view/tensor rehshaping to flat (1-d) tensor.

References madness::BaseTensor::_size, d(), and madness::Tensor< T >::reshape().

◆ fusedim() [1/2]

template<class T >

Tensor<T> madness::Tensor< T >::fusedim ( long i )

inline

Returns new view/tensor fusing contiguous dimensions i and i+1.

Returns: New tensor (viewing same underlying data as the original but with fewer dimensions)

References madness::BaseTensor::fusedim_inplace().

Referenced by madness::Tensor< T >::binary_iterator(), madness::FunctionImpl< T, NDIM >::partial_inner_contract(), madness::TensorTrain< T >::reconstruct(), madness::Tensor< T >::ternary_iterator(), madness::TensorTrain< T >::trace(), and madness::Tensor< T >::unary_iterator().

◆ fusedim() [2/2]

template<class T >

const Tensor<T> madness::Tensor< T >::fusedim ( long i ) const

inline

Returns new view/tensor fusing contiguous dimensions i and i+1.

Returns: New tensor (viewing same underlying data as the original but with fewer dimensions)

References madness::BaseTensor::fusedim_inplace().

◆ gaxpy()

template<class T >

Tensor<T>& madness::Tensor< T >::gaxpy	(	T	alpha,
		const Tensor< T > &	t,
		T	beta
	)

inline

Inplace generalized saxpy ... this = this*alpha + other*beta.

References madness::BaseTensor::_size, a, alpha, b, beta, BINARY_OPTIMIZED_ITERATOR, madness::BaseTensor::iscontiguous(), madness::Tensor< T >::ptr(), and T().

Referenced by madness::FunctionImpl< T, NDIM >::gaxpy_ext_node(), madness::Convolution1D< Q >::get_rnlp(), madness::Localizer::localize_boys(), madness::Localizer::localize_new(), madness::SCF::make_fock_matrix(), MySteepestDescent::optimize(), SteepestDescent::optimize(), and madness::SteepestDescent::optimize().

◆ has_data()

template<class T >

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

inline

References madness::BaseTensor::size().

Referenced by madness::SVDTensor< T >::SVDTensor(), madness::FunctionImpl< T, NDIM >::assemble_coefficients(), madness::FunctionImpl< T, NDIM >::do_apply_directed_screening(), madness::FunctionImpl< T, NDIM >::do_print_plane(), madness::MP2::get_fock_matrix(), and madness::Localizer::localize().

◆ mapdim() [1/2]

template<class T >

Tensor<T> madness::Tensor< T >::mapdim ( const std::vector< long > & map )

inline

Returns new view/tensor permuting the dimensions.

Parameters

[in] map Old dimension i becomes new dimension map[i]

Returns: New tensor (viewing same underlying data as the original but with reordered dimensions)

References madness::BaseTensor::mapdim_inplace().

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

◆ mapdim() [2/2]

template<class T >

const Tensor<T> madness::Tensor< T >::mapdim ( const std::vector< long > & map ) const

inline

Returns new view/tensor permuting the dimensions.

Returns: New tensor (viewing same underlying data as the original but with reordered dimensions)

References madness::BaseTensor::mapdim_inplace().

◆ max() [1/5]

float_complex madness::Tensor< float_complex >::max ( long * ind ) const

References TENSOR_EXCEPTION.

◆ max() [2/5]

double_complex madness::Tensor< double_complex >::max ( long * ind ) const

References TENSOR_EXCEPTION.

◆ max() [3/5]

float_complex madness::Tensor< float_complex >::max ( long * ind ) const

◆ max() [4/5]

double_complex madness::Tensor< double_complex >::max ( long * ind ) const

◆ max() [5/5]

template<class T >

T madness::Tensor< T >::max ( long * ind = 0 ) const

inline

Return the maximum value (and if ind is non-null, its index) in the Tensor.

References madness::BaseTensor::_ndim, madness::Tensor< T >::_p, T(), UNARY_OPTIMIZED_ITERATOR, and UNARY_UNOPTIMIZED_ITERATOR.

Referenced by MolecularNuclearPotentialFunctor2::MolecularNuclearPotentialFunctor2(), madness::BSHOperatorPtr3D(), madness::GradBSHOperator(), GradBSHOperator_Joel(), madness::GradCoulombOperator(), madness::GradSlaterOperator(), madness::SeparatedConvolution< Q, NDIM >::make_coeff_for_operator(), madness::PeriodicBSHOperator3D(), madness::PeriodicBSHOperatorPtr3D(), madness::PeriodicHFExchangeOperator(), madness::plotpovray(), madness::FunctionDefaults< NDIM >::set_length_scale(), and madness::FunctionFunctorInterface< T, NDIM >::set_length_scale().

◆ min() [1/5]

float_complex madness::Tensor< float_complex >::min ( long * ind ) const

References TENSOR_EXCEPTION.

◆ min() [2/5]

double_complex madness::Tensor< double_complex >::min ( long * ind ) const

References TENSOR_EXCEPTION.

◆ min() [3/5]

float_complex madness::Tensor< float_complex >::min ( long * ind ) const

◆ min() [4/5]

double_complex madness::Tensor< double_complex >::min ( long * ind ) const

◆ min() [5/5]

template<class T >

T madness::Tensor< T >::min ( long * ind = 0 ) const

inline

Return the minimum value (and if ind is non-null, its index) in the Tensor.

References madness::BaseTensor::_ndim, madness::Tensor< T >::_p, T(), UNARY_OPTIMIZED_ITERATOR, and UNARY_UNOPTIMIZED_ITERATOR.

Referenced by madness::TDHF::make_guess_from_initial_diagonalization(), madness::plotpovray(), and madness::FunctionDefaults< NDIM >::recompute_cell_info().

◆ normf()

template<class T >

float_scalar_type madness::Tensor< T >::normf ( ) const

inline

Returns the Frobenius norm of the tensor.

References madness::detail::mynorm(), T(), and UNARY_OPTIMIZED_ITERATOR.

◆ operator Tensor< Q >()

template<class T >

template<class Q >

madness::Tensor< T >::operator Tensor< Q > ( ) const

inline

Type conversion makes a deep copy.

References madness::BaseTensor::_dim, madness::BaseTensor::_ndim, BINARY_OPTIMIZED_ITERATOR, Q(), and T().

◆ operator()() [1/48]

template<class T >

T& madness::Tensor< T >::operator() ( const long ind[] )

inline

Politically incorrect general indexing operation without bounds checking.

Parameters

[in] ind Array containing index for each dimension

Returns: Reference to element

References madness::BaseTensor::_dim, madness::BaseTensor::_ndim, madness::Tensor< T >::_p, madness::BaseTensor::_stride, d(), offset, and TENSOR_ASSERT.

◆ operator()() [2/48]

template<class T >

const T& madness::Tensor< T >::operator() ( const long ind[] ) const

inline

Politically incorrect general indexing operation without bounds checking.

Parameters

[in] ind Array containing index for each dimension

Returns: Reference to element

References madness::BaseTensor::_dim, madness::BaseTensor::_ndim, madness::Tensor< T >::_p, madness::BaseTensor::_stride, d(), offset, and TENSOR_ASSERT.

◆ operator()() [3/48]

template<class T >

SliceTensor<T> madness::Tensor< T >::operator() ( const Slice & s0 )

inline

Return a 1d SliceTensor that views the specified range of the 1d Tensor.

Returns: SliceTensor viewing patch of original tensor

References madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [4/48]

template<class T >

const Tensor<T> madness::Tensor< T >::operator() ( const Slice & s0 ) const

inline

Return a 1d SliceTensor that views the specified range of the 1d Tensor.

Returns: Constant Tensor viewing patch of original tensor: $R(*,*,\ldots) \rightarrow I(*,*,\ldots)$

References madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [5/48]

template<class T >

SliceTensor<T> madness::Tensor< T >::operator()	(	const Slice &	s0,
		const Slice &	s1
	)

inline

Return a 2d SliceTensor that views the specified range of the 2d Tensor.

Returns: SliceTensor viewing patch of original tensor

References madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [6/48]

template<class T >

const Tensor<T> madness::Tensor< T >::operator()	(	const Slice &	s0,
		const Slice &	s1
	)		const

inline

Return a 2d constant Tensor that views the specified range of the 2d Tensor.

Returns: Constant Tensor viewing patch of original tensor

References madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [7/48]

template<class T >

SliceTensor<T> madness::Tensor< T >::operator()	(	const Slice &	s0,
		const Slice &	s1,
		const Slice &	s2
	)

inline

Return a 3d SliceTensor that views the specified range of the 3d Tensor.

Returns: SliceTensor viewing patch of original tensor

References madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [8/48]

template<class T >

const Tensor<T> madness::Tensor< T >::operator()	(	const Slice &	s0,
		const Slice &	s1,
		const Slice &	s2
	)		const

inline

Return a 3d constant Tensor that views the specified range of the 3d Tensor.

Returns: Constant Tensor viewing patch of original tensor

References madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [9/48]

template<class T >

SliceTensor<T> madness::Tensor< T >::operator()	(	const Slice &	s0,
		const Slice &	s1,
		const Slice &	s2,
		const Slice &	s3
	)

inline

Return a 1-4d SliceTensor that views the specified range of the 4d Tensor.

Returns: SliceTensor viewing patch of original tensor

References madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [10/48]

template<class T >

const Tensor<T> madness::Tensor< T >::operator()	(	const Slice &	s0,
		const Slice &	s1,
		const Slice &	s2,
		const Slice &	s3
	)		const

inline

Return a 1-4d constant Tensor that views the specified range of the 4d Tensor.

Returns: Constant Tensor viewing patch of original tensor

References madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [11/48]

template<class T >

SliceTensor<T> madness::Tensor< T >::operator()	(	const Slice &	s0,
		const Slice &	s1,
		const Slice &	s2,
		const Slice &	s3,
		const Slice &	s4
	)

inline

Return a 1-5d SliceTensor that views the specified range of the 5d Tensor.

Returns: SliceTensor viewing patch of original tensor

References madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [12/48]

template<class T >

const Tensor<T> madness::Tensor< T >::operator()	(	const Slice &	s0,
		const Slice &	s1,
		const Slice &	s2,
		const Slice &	s3,
		const Slice &	s4
	)		const

inline

Return a 1-5d constant Tensor that views the specified range of the 5d Tensor.

Returns: Constant Tensor viewing patch of original tensor

References madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [13/48]

template<class T >

SliceTensor<T> madness::Tensor< T >::operator()	(	const Slice &	s0,
		const Slice &	s1,
		const Slice &	s2,
		const Slice &	s3,
		const Slice &	s4,
		const Slice &	s5
	)

inline

Return a 1-6d SliceTensor that views the specified range of the 6d Tensor.

Returns: SliceTensor viewing patch of original tensor

References madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [14/48]

template<class T >

const Tensor<T> madness::Tensor< T >::operator()	(	const Slice &	s0,
		const Slice &	s1,
		const Slice &	s2,
		const Slice &	s3,
		const Slice &	s4,
		const Slice &	s5
	)		const

inline

Return a 1-6d constant Tensor that views the specified range of the 6d Tensor.

Returns: Constant Tensor viewing patch of original tensor

References madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [15/48]

template<class T >

SliceTensor<T> madness::Tensor< T >::operator()	(	const Slice &	s0,
		const Slice &	s1,
		long	k
	)

inline

Return a 2d SliceTensor that views the specified range of the 3d Tensor.

Returns: SliceTensor viewing patch of original tensor

References k, madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [16/48]

template<class T >

const Tensor<T> madness::Tensor< T >::operator()	(	const Slice &	s0,
		const Slice &	s1,
		long	k
	)		const

inline

Return a 2d constant Tensor that views the specified range of the 3d Tensor.

Returns: Constant Tensor viewing patch of original tensor

References k, madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [17/48]

template<class T >

SliceTensor<T> madness::Tensor< T >::operator()	(	const Slice &	s0,
		long	j
	)

inline

Return a 1d SliceTensor that views the specified range of the 2d Tensor.

Returns: SliceTensor viewing patch of original tensor

References madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [18/48]

template<class T >

const Tensor<T> madness::Tensor< T >::operator()	(	const Slice &	s0,
		long	j
	)		const

inline

Return a 1d constant Tensor that views the specified range of the 2d Tensor.

Returns: Constant Tensor viewing patch of original tensor

References madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [19/48]

template<class T >

SliceTensor<T> madness::Tensor< T >::operator()	(	const Slice &	s0,
		long	j,
		const Slice &	s2
	)

inline

Return a 2d SliceTensor that views the specified range of the 3d Tensor.

Returns: SliceTensor viewing patch of original tensor

References madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [20/48]

template<class T >

const Tensor<T> madness::Tensor< T >::operator()	(	const Slice &	s0,
		long	j,
		const Slice &	s2
	)		const

inline

Return a 2d constant Tensor that views the specified range of the 3d Tensor.

Returns: Constant Tensor viewing patch of original tensor

References madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [21/48]

template<class T >

SliceTensor<T> madness::Tensor< T >::operator()	(	const Slice &	s0,
		long	j,
		long	k
	)

inline

Return a 1d SliceTensor that views the specified range of the 3d Tensor.

Returns: SliceTensor viewing patch of original tensor

References k, madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [22/48]

template<class T >

const Tensor<T> madness::Tensor< T >::operator()	(	const Slice &	s0,
		long	j,
		long	k
	)		const

inline

Return a 1d constant Tensor that views the specified range of the 3d Tensor.

Returns: Constant Tensor viewing patch of original tensor

References k, madness::BaseTensor::ndim(), s0, and TENSOR_ASSERT.

◆ operator()() [23/48]

template<class T >

SliceTensor<T> madness::Tensor< T >::operator() ( const std::array< Slice, TENSOR_MAXDIM > & s )

inline

General slicing operation.

Parameters

[in] s array containing slice for each dimension

Returns: SliceTensor viewing patch of original tensor

◆ operator()() [24/48]

template<class T >

const Tensor<T> madness::Tensor< T >::operator() ( const std::array< Slice, TENSOR_MAXDIM > & s ) const

inline

General slicing operation (const)

Parameters

[in] s array containing slice for each dimension

Returns: Constant Tensor viewing patch of original tensor

◆ operator()() [25/48]

template<class T >

T& madness::Tensor< T >::operator() ( const std::vector< long > ind )

inline

General indexing operation with bounds checking.

Parameters

[in] ind Vector containing index for each dimension

Returns: Reference to element

References madness::BaseTensor::_dim, madness::BaseTensor::_ndim, madness::Tensor< T >::_p, madness::BaseTensor::_stride, d(), and TENSOR_ASSERT.

◆ operator()() [26/48]

template<class T >

const T& madness::Tensor< T >::operator() ( const std::vector< long > ind ) const

inline

General indexing operation with bounds checking.

Parameters

[in] ind Vector containing index for each dimension

Returns: Reference to element

References madness::BaseTensor::_dim, madness::BaseTensor::_ndim, madness::Tensor< T >::_p, madness::BaseTensor::_stride, d(), and TENSOR_ASSERT.

◆ operator()() [27/48]

template<class T >

SliceTensor<T> madness::Tensor< T >::operator() ( const std::vector< Slice > & s )

inline

General slicing operation.

Parameters

[in] s Vector containing slice for each dimension

Returns: SliceTensor viewing patch of original tensor

References TENSOR_ASSERT.

◆ operator()() [28/48]

template<class T >

const Tensor<T> madness::Tensor< T >::operator() ( const std::vector< Slice > & s ) const

inline

General slicing operation (const)

Parameters

[in] s Vector containing slice for each dimension

Returns: Constant Tensor viewing patch of original tensor

References TENSOR_ASSERT.

◆ operator()() [29/48]

template<class T >

T& madness::Tensor< T >::operator() ( long i )

inline

1-d indexing operation without bounds checking.

Parameters

[in] i index for dimension 0

Returns: Reference to element

References madness::BaseTensor::_dim, madness::Tensor< T >::_p, madness::BaseTensor::_stride, and TENSOR_ASSERT.

◆ operator()() [30/48]

template<class T >

const T& madness::Tensor< T >::operator() ( long i ) const

inline

1-d indexing operation without bounds checking.

Parameters

[in] i index for dimension 0

Returns: Reference to element

References madness::BaseTensor::_dim, madness::Tensor< T >::_p, madness::BaseTensor::_stride, and TENSOR_ASSERT.

◆ operator()() [31/48]

template<class T >

SliceTensor<T> madness::Tensor< T >::operator()	(	long	i,
		const Slice &	s1
	)

inline

Return a 1d SliceTensor that views the specified range of the 2d Tensor.

Returns: SliceTensor viewing patch of original tensor: $R(*) \rightarrow I(i,*)$

References madness::BaseTensor::ndim(), and TENSOR_ASSERT.

◆ operator()() [32/48]

template<class T >

const Tensor<T> madness::Tensor< T >::operator()	(	long	i,
		const Slice &	s1
	)		const

inline

Return a 1d SliceTensor that views the specified range of the 2d Tensor.

Returns: Constant Tensor viewing patch of original tensor

References madness::BaseTensor::ndim(), and TENSOR_ASSERT.

◆ operator()() [33/48]

template<class T >

SliceTensor<T> madness::Tensor< T >::operator()	(	long	i,
		const Slice &	s1,
		const Slice &	s2
	)

inline

Return a 2d SliceTensor that views the specified range of the 3d Tensor.

Returns: SliceTensor viewing patch of original tensor

References madness::BaseTensor::ndim(), and TENSOR_ASSERT.

◆ operator()() [34/48]

template<class T >

const Tensor<T> madness::Tensor< T >::operator()	(	long	i,
		const Slice &	s1,
		const Slice &	s2
	)		const

inline

Return a 2d constant Tensor that views the specified range of the 3d Tensor.

Returns: Constant Tensor viewing patch of original tensor

References madness::BaseTensor::ndim(), and TENSOR_ASSERT.

◆ operator()() [35/48]

template<class T >

SliceTensor<T> madness::Tensor< T >::operator()	(	long	i,
		const Slice &	s1,
		long	k
	)

inline

Return a 1d SliceTensor that views the specified range of the 3d Tensor.

Returns: SliceTensor viewing patch of original tensor

References k, madness::BaseTensor::ndim(), and TENSOR_ASSERT.

◆ operator()() [36/48]

template<class T >

const Tensor<T> madness::Tensor< T >::operator()	(	long	i,
		const Slice &	s1,
		long	k
	)		const

inline

Return a 1d constant Tensor that views the specified range of the 3d Tensor.

Returns: Constant Tensor viewing patch of original tensor

References k, madness::BaseTensor::ndim(), and TENSOR_ASSERT.

◆ operator()() [37/48]

template<class T >

T& madness::Tensor< T >::operator()	(	long	i,
		long	j
	)

inline

2-d indexing operation without bounds checking.

Parameters

[in]	i	index for dimension 0
[in]	j	index for dimension 1

Returns: Reference to element

References madness::BaseTensor::_dim, madness::Tensor< T >::_p, madness::BaseTensor::_stride, and TENSOR_ASSERT.

◆ operator()() [38/48]

template<class T >

const T& madness::Tensor< T >::operator()	(	long	i,
		long	j
	)		const

inline

2-d indexing operation without bounds checking.

Parameters

[in]	i	index for dimension 0
[in]	j	index for dimension 1

Returns: Reference to element

References madness::BaseTensor::_dim, madness::Tensor< T >::_p, madness::BaseTensor::_stride, and TENSOR_ASSERT.

◆ operator()() [39/48]

template<class T >

SliceTensor<T> madness::Tensor< T >::operator()	(	long	i,
		long	j,
		const Slice &	s2
	)

inline

Return a 1d SliceTensor that views the specified range of the 3d Tensor.

Returns: SliceTensor viewing patch of original tensor

References madness::BaseTensor::ndim(), and TENSOR_ASSERT.

◆ operator()() [40/48]

template<class T >

const Tensor<T> madness::Tensor< T >::operator()	(	long	i,
		long	j,
		const Slice &	s2
	)		const

inline

Return a 1d constant Tensor that views the specified range of the 3d Tensor.

Returns: Constant Tensor viewing patch of original tensor

References madness::BaseTensor::ndim(), and TENSOR_ASSERT.

◆ operator()() [41/48]

template<class T >

T& madness::Tensor< T >::operator()	(	long	i,
		long	j,
		long	k
	)

inline

3-d indexing operation without bounds checking.

Parameters

[in]	i	index for dimension 0
[in]	j	index for dimension 1
[in]	k	index for dimension 2

Returns: Reference to element

References madness::BaseTensor::_dim, madness::Tensor< T >::_p, madness::BaseTensor::_stride, k, and TENSOR_ASSERT.

◆ operator()() [42/48]

template<class T >

const T& madness::Tensor< T >::operator()	(	long	i,
		long	j,
		long	k
	)		const

inline

3-d indexing operation without bounds checking.

Parameters

[in]	i	index for dimension 0
[in]	j	index for dimension 1
[in]	k	index for dimension 2

Returns: Reference to element

References madness::BaseTensor::_dim, madness::Tensor< T >::_p, madness::BaseTensor::_stride, k, and TENSOR_ASSERT.

◆ operator()() [43/48]

template<class T >

T& madness::Tensor< T >::operator()	(	long	i,
		long	j,
		long	k,
		long	l
	)

inline

4-d indexing operation without bounds checking.

Parameters

[in]	i	index for dimension 0
[in]	j	index for dimension 1
[in]	k	index for dimension 2
[in]	l	index for dimension 3

Returns: Reference to element

References madness::BaseTensor::_dim, madness::Tensor< T >::_p, madness::BaseTensor::_stride, k, and TENSOR_ASSERT.

◆ operator()() [44/48]

template<class T >

const T& madness::Tensor< T >::operator()	(	long	i,
		long	j,
		long	k,
		long	l
	)		const

inline

4-d indexing operation without bounds checking.

Parameters

[in]	i	index for dimension 0
[in]	j	index for dimension 1
[in]	k	index for dimension 2
[in]	l	index for dimension 3

Returns: Reference to element

References madness::BaseTensor::_dim, madness::Tensor< T >::_p, madness::BaseTensor::_stride, k, and TENSOR_ASSERT.

◆ operator()() [45/48]

template<class T >

T& madness::Tensor< T >::operator()	(	long	i,
		long	j,
		long	k,
		long	l,
		long	m
	)

inline

5-d indexing operation without bounds checking.

Parameters

[in]	i	index for dimension 0
[in]	j	index for dimension 1
[in]	k	index for dimension 2
[in]	l	index for dimension 3
[in]	m	index for dimension 4

Returns: Reference to element

References madness::BaseTensor::_dim, madness::Tensor< T >::_p, madness::BaseTensor::_stride, k, m, and TENSOR_ASSERT.

◆ operator()() [46/48]

template<class T >

const T& madness::Tensor< T >::operator()	(	long	i,
		long	j,
		long	k,
		long	l,
		long	m
	)		const

inline

5-d indexing operation without bounds checking.

Parameters

[in]	i	index for dimension 0
[in]	j	index for dimension 1
[in]	k	index for dimension 2
[in]	l	index for dimension 3
[in]	m	index for dimension 4

Returns: Reference to element

References madness::BaseTensor::_dim, madness::Tensor< T >::_p, madness::BaseTensor::_stride, k, m, and TENSOR_ASSERT.

◆ operator()() [47/48]

template<class T >

T& madness::Tensor< T >::operator()	(	long	i,
		long	j,
		long	k,
		long	l,
		long	m,
		long	n
	)

inline

6-d indexing operation without bounds checking.

Parameters

[in]	i	index for dimension 0
[in]	j	index for dimension 1
[in]	k	index for dimension 2
[in]	l	index for dimension 3
[in]	m	index for dimension 4
[in]	n	index for dimension 5

Returns: Reference to element

References madness::BaseTensor::_dim, madness::Tensor< T >::_p, madness::BaseTensor::_stride, k, m, and TENSOR_ASSERT.

◆ operator()() [48/48]

template<class T >

const T& madness::Tensor< T >::operator()	(	long	i,
		long	j,
		long	k,
		long	l,
		long	m,
		long	n
	)		const

inline

6-d indexing operation without bounds checking.

Parameters

[in]	i	index for dimension 0
[in]	j	index for dimension 1
[in]	k	index for dimension 2
[in]	l	index for dimension 3
[in]	m	index for dimension 4
[in]	n	index for dimension 5

Returns: Reference to element

References madness::BaseTensor::_dim, madness::Tensor< T >::_p, madness::BaseTensor::_stride, k, m, and TENSOR_ASSERT.

◆ operator*()

template<class T >

template<typename Q >

IsSupported<TensorTypeData<Q>, Tensor<TENSOR_RESULT_TYPE(T,Q)> >::type madness::Tensor< T >::operator* ( const Q & x ) const

inline

Multiplication of tensor by a scalar of a supported type to produce a new tensor.

Parameters

[in] x Scalar value

Returns: New tensor

References madness::BaseTensor::_dim, madness::BaseTensor::_ndim, BINARY_OPTIMIZED_ITERATOR, Q(), T(), and madness::Tensor< T >::TENSOR_RESULT_TYPE().

◆ operator*=()

template<class T >

template<typename Q >

IsSupported<TensorTypeData<Q>,Tensor<T>&>::type madness::Tensor< T >::operator*= ( const Q & x )

inline

Inplace multiplication by scalar of supported type.

Parameters

[in] x Scalar value

Returns: Reference to this tensor

References T(), and UNARY_OPTIMIZED_ITERATOR.

◆ operator+() [1/2]

template<class T >

template<typename Q >

IsSupported<TensorTypeData<Q>, Tensor<TENSOR_RESULT_TYPE(T,Q)> >::type madness::Tensor< T >::operator+ ( const Q & x ) const

inline

Add a scalar of the same type to all elements of a tensor producing a new tensor.

Parameters

[in] x Scalar value

Returns: New tensor

References madness::BaseTensor::_dim, madness::BaseTensor::_ndim, BINARY_OPTIMIZED_ITERATOR, Q(), T(), and madness::Tensor< T >::TENSOR_RESULT_TYPE().

◆ operator+() [2/2]

template<class T >

template<typename Q >

Tensor< TENSOR_RESULT_TYPE(T,Q) > madness::Tensor< T >::operator+ ( const Tensor< Q > & t ) const

inline

Addition of two tensors to produce a new tensor.

Parameters

[in] t Conforming tensor to be added out-of-place to this tensor

Returns: New tensor

References madness::BaseTensor::_dim, madness::BaseTensor::_ndim, Q(), T(), madness::Tensor< T >::TENSOR_RESULT_TYPE(), and TERNARY_OPTIMIZED_ITERATOR.

◆ operator+=() [1/2]

template<class T >

template<typename Q >

IsSupported<TensorTypeData<Q>,Tensor<T>&>::type madness::Tensor< T >::operator+= ( const Q & x )

inline

Inplace increment by scalar of supported type.

Parameters

[in] x Scalar value

Returns: Reference to this tensor

References T(), and UNARY_OPTIMIZED_ITERATOR.

◆ operator+=() [2/2]

template<class T >

template<typename Q >

Tensor<T>& madness::Tensor< T >::operator+= ( const Tensor< Q > & t )

inline

Inplace addition of two tensors.

Parameters

[in] t Conforming tensor to be added in-place to this tensor

Returns: Reference to this tensor

References BINARY_OPTIMIZED_ITERATOR, and T().

◆ operator-() [1/3]

template<class T >

Tensor<T> madness::Tensor< T >::operator- ( ) const

inline

Unary negation producing a new tensor.

Returns: New tensor

References madness::BaseTensor::_dim, madness::BaseTensor::_ndim, BINARY_OPTIMIZED_ITERATOR, and T().

◆ operator-() [2/3]

template<class T >

template<typename Q >

IsSupported<TensorTypeData<Q>, Tensor<TENSOR_RESULT_TYPE(T,Q)> >::type madness::Tensor< T >::operator- ( const Q & x ) const

inline

Subtract a scalar of the same type from all elements producing a new tensor.

Parameters

[in] x Scalar value

Returns: New tensor

◆ operator-() [3/3]

template<class T >

template<typename Q >

Tensor< TENSOR_RESULT_TYPE(T,Q) > madness::Tensor< T >::operator- ( const Tensor< Q > & t ) const

inline

Subtraction of two tensors to produce a new tensor.

Parameters

[in] t Conforming tensor to be subtracted out-of-place from this tensor

Returns: New tensor

References madness::BaseTensor::_dim, madness::BaseTensor::_ndim, Q(), T(), madness::Tensor< T >::TENSOR_RESULT_TYPE(), and TERNARY_OPTIMIZED_ITERATOR.

◆ operator-=() [1/2]

template<class T >

template<typename Q >

IsSupported<TensorTypeData<Q>,Tensor<T>&>::type madness::Tensor< T >::operator-= ( const Q & x )

inline

Inplace decrement by scalar of supported type.

Parameters

[in] x Scalar value

Returns: Reference to this tensor

References T(), and UNARY_OPTIMIZED_ITERATOR.

◆ operator-=() [2/2]

template<class T >

template<typename Q >

Tensor<T>& madness::Tensor< T >::operator-= ( const Tensor< Q > & t )

inline

Inplace subtraction of two tensors.

Parameters

[in] t Conforming tensor to be subtracted in-place from this tensor

Returns: Reference to this tensor

References BINARY_OPTIMIZED_ITERATOR, and T().

◆ operator/()

template<class T >

template<typename Q >

IsSupported<TensorTypeData<Q>, Tensor<TENSOR_RESULT_TYPE(T,Q)> >::type madness::Tensor< T >::operator/ ( const Q & x ) const

inline

Divide tensor by a scalar of a supported type to produce a new tensor.

Parameters

[in] x Scalar value

Returns: New tensor

References madness::BaseTensor::_dim, madness::BaseTensor::_ndim, BINARY_OPTIMIZED_ITERATOR, Q(), T(), and madness::Tensor< T >::TENSOR_RESULT_TYPE().

◆ operator=() [1/2]

template<class T >

Tensor<T>& madness::Tensor< T >::operator= ( const Tensor< T > & t )

inline

Assignment is shallow (same as copy constructor)

Caveat emptor: The shallow assignment has many virtues but enables you to violate constness with simple code such as

const Tensor<double> a(5);
Tensor<double> b;
b = a;
b[1] = 3; // a[1] is now also 3

References madness::BaseTensor::_dim, madness::BaseTensor::_ndim, madness::Tensor< T >::_p, madness::Tensor< T >::_shptr, madness::BaseTensor::_size, madness::BaseTensor::_stride, MADNESS_PRAGMA_GCC, madness::pop(), and TENSOR_MAXDIM.

◆ operator=() [2/2]

template<class T >

Tensor<T>& madness::Tensor< T >::operator= ( T x )

inline

Inplace fill tensor with scalar.

Parameters

[in] x Value used to fill tensor via assigment

Returns: Reference to this tensor

References T(), and UNARY_OPTIMIZED_ITERATOR.

◆ operator[]() [1/2]

template<class T >

T& madness::Tensor< T >::operator[] ( long i )

inline

1-d indexing operation using [] without bounds checking.

Parameters

[in] i index for dimension 0

Returns: Reference to element

References madness::BaseTensor::_dim, madness::Tensor< T >::_p, madness::BaseTensor::_stride, and TENSOR_ASSERT.

◆ operator[]() [2/2]

template<class T >

const T& madness::Tensor< T >::operator[] ( long i ) const

inline

1-d indexing operation using [] without bounds checking.

Parameters

[in] i index for dimension 0

Returns: Reference to element

References madness::BaseTensor::_dim, madness::Tensor< T >::_p, madness::BaseTensor::_stride, and TENSOR_ASSERT.

◆ product()

template<class T >

T madness::Tensor< T >::product ( ) const

inline

Return the product of all elements of the tensor.

References T(), and UNARY_OPTIMIZED_ITERATOR.

Referenced by madness::FunctionDefaults< NDIM >::recompute_cell_info().

◆ ptr() [1/2]

template<class T >

T* madness::Tensor< T >::ptr ( )

inline

Returns a pointer to the internal data.

References madness::Tensor< T >::_p.

Referenced by madness::Convolution1D< Q >::Convolution1D(), madness::TensorIterator< T, Q, R >::TensorIterator(), madness::FunctionCommonData< T, NDIM >::_init_quadrature(), madness::SeparatedConvolution< Q, NDIM >::apply_transformation(), madness::Localizer::compute_core_valence_separation_transformation_matrix(), madness::FunctionImpl< T, NDIM >::do_inner_localX(), AtomicBasis::eval_guess_density(), madness::AtomicBasis::eval_guess_density(), madness::FunctionImpl< T, NDIM >::eval_plot_cube(), madness::XCfunctional::exc(), madness::fast_transform(), madness::fcube(), madness::Tensor< T >::fillrandom(), madness::Tensor< T >::gaxpy(), madness::geev(), geev_(), madness::gelss(), gelss_(), geqp3_(), madness::geqp3_result(), madness::gesv(), gesvd_(), get_fock_transformation(), madness::SCF::get_fock_transformation(), madness::ggev(), ggev_(), madness::inner(), madness::inner_result(), madness::inverse(), madness::archive::ArchiveLoadImpl< Archive, Tensor< T > >::load(), madness::load_coeffs(), madness::Localizer::localize_boys(), madness::Localizer::localize_new(), madness::lq_result(), main(), madness::matrix_inner(), madness::matrix_inner_old(), madness::Convolution1D< Q >::mod_nonstandard(), madness::Convolution1D< Q >::nonstandard(), madness::xc_lda_potential::operator()(), myunaryop_square< T, NDIM >::operator()(), BoysLocalization::operator()(), madness::orgqr(), madness::outer_result(), madness::plotdx(), madness::FunctionImpl< T, NDIM >::print_stats(), readin(), madness::TensorIterator< T, Q, R >::reuse(), madness::GenericConvolution1D< Q, opT >::rnlp(), madness::rr_cholesky(), madness::archive::ArchiveStoreImpl< Archive, Tensor< T > >::store(), madness::svd(), madness::svd_result(), madness::syev(), syev_(), madness::sygv(), sygv_(), madness::SystolicMatrixAlgorithm< T >::unshuffle(), madness::SubspaceK< T, NDIM >::update_subspace(), madness::Subspace< T, NDIM >::update_subspace(), and madness::SCF::update_subspace().

◆ ptr() [2/2]

template<class T >

const T* madness::Tensor< T >::ptr ( ) const

inline

Returns a pointer to the internal data.

References madness::Tensor< T >::_p.

◆ reshape() [1/16]

template<class T >

Tensor<T> madness::Tensor< T >::reshape ( const std::vector< long > & d )

inline

Returns new view/tensor reshaping size/number of dimensions to conforming tensor.

Parameters

[in] d Array containing size of each new dimension

Returns: New tensor (viewing same underlying data as the original but with different shape)

References d(), and madness::Tensor< T >::reshape().

◆ reshape() [2/16]

template<class T >

const Tensor<T> madness::Tensor< T >::reshape ( const std::vector< long > & d ) const

inline

Returns new view/tensor reshaping size/number of dimensions to conforming tensor.

Parameters

[in] d Array containing size of each new dimension

Returns: New tensor (viewing same underlying data as the original but with different shape)

References d(), and madness::Tensor< T >::reshape().

◆ reshape() [3/16]

template<class T >

Tensor<T> madness::Tensor< T >::reshape	(	int	ndimnew,
		const long *	d
	)

inline

Returns new view/tensor reshaping size/number of dimensions to conforming tensor.

Parameters

[in]	ndimnew	Number of dimensions in the result
[in]	d	Array containing size of each new dimension

Returns: New tensor (viewing same underlying data as the original but with different shape)

References d(), and madness::BaseTensor::reshape_inplace().

Referenced by madness::apply(), madness::GTHPseudopotential< Q >::apply_potential(), madness::F12Potentials::compute_f12_correction(), madness::SVDTensor< T >::concatenate(), madness::GenTensor< T >::convert_inplace(), madness::TensorTrain< T >::emul(), madness::Tensor< T >::flat(), madness::FunctionImpl< T, NDIM >::project_out_op< LDIM >::operator()(), madness::outer(), madness::FunctionImpl< T, NDIM >::partial_inner_contract(), madness::SRConf< T >::reconstruct(), slymer::ES_Interface::reset(), madness::Tensor< T >::reshape(), madness::TensorTrain< T >::trace(), madness::TensorTrain< T >::truncate(), madness::HartreeFock< T, NDIM >::value(), madness::Nemo::value(), madness::MolecularEnergy::value(), and madness::Znemo::value().

◆ reshape() [4/16]

template<class T >

const Tensor<T> madness::Tensor< T >::reshape	(	int	ndimnew,
		const long *	d
	)		const

inline

Returns new view/tensor reshaping size/number of dimensions to conforming tensor.

Parameters

[in]	ndimnew	Number of dimensions in the result
[in]	d	Array containing size of each new dimension

Returns: New tensor (viewing same underlying data as the original but with different shape)

References d(), and madness::BaseTensor::reshape_inplace().

◆ reshape() [5/16]

template<class T >

Tensor<T> madness::Tensor< T >::reshape ( long dim0 )

inline

Returns new view/tensor rehapings to conforming 1-d tensor with given dimension.

Parameters

[in] dim0 Size of new dimension 0

Returns: New tensor (viewing same underlying data as the original but with different shape)

References d(), and madness::Tensor< T >::reshape().

◆ reshape() [6/16]

template<class T >

const Tensor<T> madness::Tensor< T >::reshape ( long dim0 ) const

inline

Returns new view/tensor rehapings to conforming 1-d tensor with given dimension.

Parameters

[in] dim0 Size of new dimension 0

Returns: New tensor (viewing same underlying data as the original but with different shape)

References d(), and madness::Tensor< T >::reshape().

◆ reshape() [7/16]

template<class T >

Tensor<T> madness::Tensor< T >::reshape	(	long	dim0,
		long	dim1
	)

inline

Returns new view/tensor rehaping to conforming 2-d tensor with given dimensions.

Parameters

[in]	dim0	Size of new dimension 0
[in]	dim1	Size of new dimension 1

Returns: New tensor (viewing same underlying data as the original but with different shape)

References d(), and madness::Tensor< T >::reshape().

◆ reshape() [8/16]

template<class T >

const Tensor<T> madness::Tensor< T >::reshape	(	long	dim0,
		long	dim1
	)		const

inline

Returns new view/tensor rehaping to conforming 2-d tensor with given dimensions.

Parameters

[in]	dim0	Size of new dimension 0
[in]	dim1	Size of new dimension 1

Returns: New tensor (viewing same underlying data as the original but with different shape)

References d(), and madness::Tensor< T >::reshape().

◆ reshape() [9/16]

template<class T >

Tensor<T> madness::Tensor< T >::reshape	(	long	dim0,
		long	dim1,
		long	dim2
	)

inline

Returns new view/tensor rehaping to conforming 3-d tensor with given dimensions.

Parameters

[in]	dim0	Size of new dimension 0
[in]	dim1	Size of new dimension 1
[in]	dim2	Size of new dimension 2

Returns: New tensor (viewing same underlying data as the original but with different shape)

References d(), and madness::Tensor< T >::reshape().

◆ reshape() [10/16]

template<class T >

const Tensor<T> madness::Tensor< T >::reshape	(	long	dim0,
		long	dim1,
		long	dim2
	)		const

inline

Returns new view/tensor rehaping to conforming 3-d tensor with given dimensions.

Parameters

[in]	dim0	Size of new dimension 0
[in]	dim1	Size of new dimension 1
[in]	dim2	Size of new dimension 2

Returns: New tensor (viewing same underlying data as the original but with different shape)

References d(), and madness::Tensor< T >::reshape().

◆ reshape() [11/16]

template<class T >

Tensor<T> madness::Tensor< T >::reshape	(	long	dim0,
		long	dim1,
		long	dim2,
		long	dim3
	)

inline

Returns new view/tensor rehaping to conforming 4-d tensor with given dimensions.

Parameters

[in]	dim0	Size of new dimension 0
[in]	dim1	Size of new dimension 1
[in]	dim2	Size of new dimension 2
[in]	dim3	Size of new dimension 3

Returns: New tensor (viewing same underlying data as the original but with different shape)

References d(), and madness::Tensor< T >::reshape().

◆ reshape() [12/16]

template<class T >

const Tensor<T> madness::Tensor< T >::reshape	(	long	dim0,
		long	dim1,
		long	dim2,
		long	dim3
	)		const

inline

Returns new view/tensor rehaping to conforming 4-d tensor with given dimensions.

Parameters

[in]	dim0	Size of new dimension 0
[in]	dim1	Size of new dimension 1
[in]	dim2	Size of new dimension 2
[in]	dim3	Size of new dimension 3

Returns: New tensor (viewing same underlying data as the original but with different shape)

References d(), and madness::Tensor< T >::reshape().

◆ reshape() [13/16]

template<class T >

Tensor<T> madness::Tensor< T >::reshape	(	long	dim0,
		long	dim1,
		long	dim2,
		long	dim3,
		long	dim4
	)

inline

Returns new view/tensor rehaping to conforming 5-d tensor with given dimensions.

Parameters

[in]	dim0	Size of new dimension 0
[in]	dim1	Size of new dimension 1
[in]	dim2	Size of new dimension 2
[in]	dim3	Size of new dimension 3
[in]	dim4	Size of new dimension 4

Returns: New tensor (viewing same underlying data as the original but with different shape)

References d(), and madness::Tensor< T >::reshape().

◆ reshape() [14/16]

template<class T >

const Tensor<T> madness::Tensor< T >::reshape	(	long	dim0,
		long	dim1,
		long	dim2,
		long	dim3,
		long	dim4
	)		const

inline

Returns new view/tensor rehaping to conforming 5-d tensor with given dimensions.

Parameters

[in]	dim0	Size of new dimension 0
[in]	dim1	Size of new dimension 1
[in]	dim2	Size of new dimension 2
[in]	dim3	Size of new dimension 3
[in]	dim4	Size of new dimension 4

Returns: New tensor (viewing same underlying data as the original but with different shape)

References d(), and madness::Tensor< T >::reshape().

◆ reshape() [15/16]

template<class T >

Tensor<T> madness::Tensor< T >::reshape	(	long	dim0,
		long	dim1,
		long	dim2,
		long	dim3,
		long	dim4,
		long	dim5
	)

inline

Returns new view/tensor rehaping to conforming 6-d tensor with given dimensions.

Parameters

[in]	dim0	Size of new dimension 0
[in]	dim1	Size of new dimension 1
[in]	dim2	Size of new dimension 2
[in]	dim3	Size of new dimension 3
[in]	dim4	Size of new dimension 4
[in]	dim5	Size of new dimension 5

Returns: New tensor (viewing same underlying data as the original but with different shape)

References d(), and madness::Tensor< T >::reshape().

◆ reshape() [16/16]

template<class T >

const Tensor<T> madness::Tensor< T >::reshape	(	long	dim0,
		long	dim1,
		long	dim2,
		long	dim3,
		long	dim4,
		long	dim5
	)		const

inline

Returns new view/tensor rehaping to conforming 6-d tensor with given dimensions.

Parameters

[in]	dim0	Size of new dimension 0
[in]	dim1	Size of new dimension 1
[in]	dim2	Size of new dimension 2
[in]	dim3	Size of new dimension 3
[in]	dim4	Size of new dimension 4
[in]	dim5	Size of new dimension 5

Returns: New tensor (viewing same underlying data as the original but with different shape)

References d(), and madness::Tensor< T >::reshape().

◆ scale()

template<class T >

template<typename Q >

IsSupported<TensorTypeData<Q>,Tensor<T>&>::type madness::Tensor< T >::scale ( Q x )

inline

Inplace multiplication by scalar of supported type (legacy name)

Parameters

[in] x Scalar value

Returns: Reference to this tensor

Referenced by MolecularNuclearPotentialFunctor2::MolecularNuclearPotentialFunctor2(), madness::SeparatedConvolution< Q, NDIM >::apply_transformation3(), madness::Znemo::canonicalize(), madness::Nemo::compute_IR_intensities(), DF::diagonalize(), madness::Derivative< T, NDIM >::do_diff2b(), madness::Nemo::hessian(), MiniDFT::kinetic_energy_matrix(), madness::Localizer::localize_boys(), madness::Localizer::localize_new(), main(), madness::Solver< T, NDIM >::matrix_exponential(), madness::Localizer::matrix_exponential(), matrix_exponential(), madness::detail::scaleinplace< T, NDIM >::operator()(), BoysLocalization::operator()(), QuasiNewton::optimize(), madness::QuasiNewton::optimize(), madness::MolecularOptimizer::optimize_quasi_newton(), madness::FunctionImpl< T, NDIM >::phi_for_mul(), madness::plot_cubefile(), madness::FunctionImpl< T, NDIM >::project(), projector_external_dof(), madness::MolecularOptimizer::projector_external_dof(), and madness::Localizer::undo_reordering().

◆ screen()

template<class T >

Tensor<T>& madness::Tensor< T >::screen ( double x )

inline

Inplace set elements of *this less than x in absolute magnitude to zero.

Parameters

[in] x Scalar value

Returns: Reference to this tensor

References std::abs(), T(), and UNARY_OPTIMIZED_ITERATOR.

Referenced by madness::ortho3(), and madness::ortho5().

◆ splitdim() [1/2]

template<class T >

Tensor<T> madness::Tensor< T >::splitdim	(	long	i,
		long	dimi0,
		long	dimi1
	)

inline

Returns new view/tensor splitting dimension i as dimi0*dimi1 to produce conforming d+1 dimension tensor.

Returns: New tensor (viewing same underlying data as the original but with additional dimensions)

References madness::BaseTensor::splitdim_inplace().

◆ splitdim() [2/2]

template<class T >

const Tensor<T> madness::Tensor< T >::splitdim	(	long	i,
		long	dimi0,
		long	dimi1
	)		const

inline

Returns new view/tensor splitting dimension i as dimi0*dimi1 to produce conforming d+1 dimension tensor.

Returns: New tensor (viewing same underlying data as the original but with additional dimensions)

References madness::BaseTensor::splitdim_inplace().

◆ sum()

template<class T >

T madness::Tensor< T >::sum ( ) const

inline

Returns the sum of all elements of the tensor.

References T(), and UNARY_OPTIMIZED_ITERATOR.

Referenced by madness::projector_irrep::apply_symmetry_operators(), madness::Nemo::compute_energy_regularized(), madness::FunctionImpl< T, NDIM >::inner_ext_recursive(), DF::iterate(), madness::CC2::iterate_singles(), madness::AtomicBasisSet::modify_dmat_psp(), madness::SRConf< T >::normf(), madness::FunctionImpl< T, NDIM >::print_stats(), su_complex(), and madness::SRConf< T >::trace().

◆ sumsq()

template<class T >

T madness::Tensor< T >::sumsq ( ) const

inline

Returns the sum of the squares of the elements.

References T(), and UNARY_OPTIMIZED_ITERATOR.

Referenced by madness::Znemo::iterate(), madness::TDHF::oscillator_strength_length(), madness::TDHF::oscillator_strength_velocity(), madness::HartreeFock< T, NDIM >::value(), madness::MP2::value(), madness::Nemo::value(), madness::MolecularEnergy::value(), Test::value(), and CoreFittingTarget::value().

◆ swapdim() [1/2]

template<class T >

Tensor<T> madness::Tensor< T >::swapdim	(	long	idim,
		long	jdim
	)

inline

Returns new view/tensor swaping dimensions i and j.

Returns: New tensor (viewing same underlying data as the original but with reordered dimensions)

References madness::BaseTensor::swapdim_inplace().

Referenced by madness::conj_transpose(), PNOTensors::Tensor_IJ_IK< T >::set(), PNOTensors::Tensor_IJ_KJ< T >::set(), Test7(), madness::transform_dir(), and madness::transpose().

◆ swapdim() [2/2]

template<class T >

const Tensor<T> madness::Tensor< T >::swapdim	(	long	idim,
		long	jdim
	)		const

inline

Returns new view/tensor swaping dimensions i and j.

Returns: New tensor (viewing same underlying data as the original but with reordered dimensions)

References madness::BaseTensor::swapdim_inplace().

◆ TENSOR_RESULT_TYPE()

template<class T >

template<class Q >

madness::Tensor< T >::TENSOR_RESULT_TYPE	(	T	,
		Q
	)		const &

inline

Return the trace of two tensors with complex conjugate of the leftmost (i.e., this)

References BINARY_OPTIMIZED_ITERATOR, madness::conditional_conj(), Q(), and T().

Referenced by madness::Tensor< T >::operator*(), madness::Tensor< T >::operator+(), madness::Tensor< T >::operator-(), and madness::Tensor< T >::operator/().

◆ ternary_iterator()

template<class T >

template<class Q , class R >

TensorIterator<T,Q,R> madness::Tensor< T >::ternary_iterator	(	const Tensor< Q > &	q,
		const Tensor< R > &	r,
		long	iterlevel = `0`,
		bool	optimize = `true`,
		bool	fusedim = `true`,
		long	jdim = `default_jdim`
	)		const

inline

Return iterator over three tensors.

References madness::Tensor< T >::fusedim(), and q().

◆ trace()

template<class T >

T madness::Tensor< T >::trace ( const Tensor< T > & t ) const

inline

Return the trace of two tensors (no complex conjugate invoked)

References BINARY_OPTIMIZED_ITERATOR, and T().

Referenced by madness::MP2::compute_gQf(), QuasiNewton::hessian_update_bfgs(), madness::QuasiNewton::hessian_update_bfgs(), madness::Localizer::localize_boys(), madness::Localizer::localize_new(), madness::Localizer::matrix_exponential(), madness::FunctionImpl< T, NDIM >::do_inner_local_on_demand< R >::operator()(), QuasiNewton::optimize(), madness::QuasiNewton::optimize(), madness::MolecularOptimizer::optimize_quasi_newton(), madness::GenTensor< T >::TENSOR_RESULT_TYPE(), test_Kcommutator(), and madness::TensorTrain< T >::trace().

◆ unary_iterator()

template<class T >

TensorIterator<T> madness::Tensor< T >::unary_iterator	(	long	iterlevel = `0`,
		bool	optimize = `true`,
		bool	fusedim = `true`,
		long	jdim = `default_jdim`
	)		const

inline

Return iterator over single tensor.

References madness::Tensor< T >::fusedim().

Referenced by MySteepestDescent::check_positive(), madness::inner_result(), madness::operator<<(), madness::outer_result(), and madness::MyPmap< D >::prepare_not_so_simple_map().

◆ unaryop()

template<class T >

template<typename opT >

Tensor<T>& madness::Tensor< T >::unaryop ( opT & op )

inline

Inplace apply a unary function to each element of the tensor.

References op(), T(), and UNARY_OPTIMIZED_ITERATOR.

Referenced by map_tensor(), madness::XCOperator< T, NDIM >::logme::operator()(), madness::XCOperator< T, NDIM >::expme::operator()(), and madness::apply_kernel_helper::slater_apply().

Friends And Related Function Documentation

◆ SliceTensor

template<class T >

template<class U >

friend class SliceTensor

friend

Member Data Documentation

◆ _p

template<class T >

T* MADNESS_RESTRICT madness::Tensor< T >::_p

protected

Referenced by madness::SliceTensor< T >::SliceTensor(), madness::Tensor< T >::allocate(), madness::Tensor< T >::deallocate(), madness::Tensor< T >::max(), madness::Tensor< T >::min(), madness::Tensor< T >::operator()(), madness::Tensor< T >::operator=(), madness::Tensor< T >::operator[](), and madness::Tensor< T >::ptr().

◆ _shptr

template<class T >

TENSOR_SHARED_PTR<T> madness::Tensor< T >::_shptr

protected

Referenced by madness::Tensor< T >::allocate(), madness::Tensor< T >::deallocate(), and madness::Tensor< T >::operator=().

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

Public Types

Public Member Functions

Static Public Member Functions

Protected Member Functions

Protected Attributes

Friends

Detailed Description

template<class T> class madness::Tensor< T >

Member Typedef Documentation

◆ float_scalar_type

◆ scalar_type

◆ type

Constructor & Destructor Documentation

◆ Tensor() [1/10]

◆ Tensor() [2/10]

◆ Tensor() [3/10]

◆ Tensor() [4/10]

◆ Tensor() [5/10]

◆ Tensor() [6/10]

◆ Tensor() [7/10]

◆ Tensor() [8/10]

◆ Tensor() [9/10]

◆ Tensor() [10/10]

◆ ~Tensor()

Member Function Documentation

◆ absmax()

◆ absmin()

◆ allocate()

◆ base() [1/2]

◆ base() [2/2]

◆ binary_iterator()

◆ bounds_checking()

◆ clear()

◆ conforms()

◆ conj()

◆ cycledim() [1/2]

◆ cycledim() [2/2]

◆ deallocate()

◆ emul()

◆ end()

◆ fill()

◆ fillindex()

◆ fillrandom()

◆ flat() [1/2]

◆ flat() [2/2]

◆ fusedim() [1/2]

◆ fusedim() [2/2]

◆ gaxpy()

◆ has_data()

◆ mapdim() [1/2]

◆ mapdim() [2/2]

◆ max() [1/5]

◆ max() [2/5]

◆ max() [3/5]

◆ max() [4/5]

◆ max() [5/5]

◆ min() [1/5]

◆ min() [2/5]

◆ min() [3/5]

◆ min() [4/5]

◆ min() [5/5]

◆ normf()

◆ operator Tensor< Q >()

◆ operator()() [1/48]

◆ operator()() [2/48]

◆ operator()() [3/48]

◆ operator()() [4/48]

◆ operator()() [5/48]

◆ operator()() [6/48]

◆ operator()() [7/48]

◆ operator()() [8/48]

◆ operator()() [9/48]

◆ operator()() [10/48]

◆ operator()() [11/48]

◆ operator()() [12/48]

◆ operator()() [13/48]

◆ operator()() [14/48]

◆ operator()() [15/48]

◆ operator()() [16/48]

◆ operator()() [17/48]

template<class T>
class madness::Tensor< T >