sc::MTensor< NDIM > Class Template Reference

Tensor metadata is implicit; MTensor is Tensor + metadata. More...

#include <chemistry/qc/ccr12/mtensor.h>

Public Types
typedef CCR12_Info	Info
typedef long	tile_index
typedef long	element_index
typedef std::pair< tile_index, tile_index >	tile_range
typedef std::vector< tile_range >	tile_ranges
typedef std::pair< element_index, element_index >	element_range
typedef std::vector< element_range >	element_ranges
typedef std::vector< element_index >	element_index_map

Public Member Functions
	MTensor (Info const *info, Tensor *tensor, const tile_ranges &range)
void	convert (const Ref< DistArray4 > &src, unsigned int tbtype, const element_index_map &eimap0, const element_index_map &eimap1, const element_index_map &eimap2, const element_index_map &eimap3, element_ranges const *mapped_element_ranges=0, bool src_is_2301=false)
	copies contents of src to this. More...
template<typename SrcType >
void	convert (const SrcType &src, int n1, int n3, const element_index_map &eimap0, const element_index_map &eimap1, const element_index_map &eimap2, const element_index_map &eimap3, element_ranges const *mapped_element_ranges=0)
	copies contents of src to this. More...
template<typename SrcType >
void	convert (const SrcType &src0, const SrcType &src1, int n0, int n1, int n2, int n3, const element_index_map &eimap0, const element_index_map &eimap1, const element_index_map &eimap2, const element_index_map &eimap3, element_ranges const *mapped_element_ranges=0, bool src1_is_1023=false)
	copies contents of (src0, src1) to this, where src0 = (01|23) and src1 = (01|32), if src1_is_1023 == false, or src1 = (10|23), if src1_is_1023 == true. More...
template<typename SrcType >
void	convert (const SrcType &src, const element_index_map &eimap0, const element_index_map &eimap1, element_ranges const *mapped_element_ranges=0)
	copies contents of src to this. More...
void	print (const std::string &label, std::ostream &os=ExEnv::out0()) const

Static Public Attributes
static const size_t	ndim = NDIM

Detailed Description

template<size_t NDIM>
class sc::MTensor< NDIM >

Tensor metadata is implicit; MTensor is Tensor + metadata.

Constructor & Destructor Documentation

MTensor()

template<size_t NDIM>

sc::MTensor< NDIM >::MTensor ( Info const *  info, Tensor *  tensor, const tile_ranges &  range  )

inline

Parameters

range

is a vector of NDIM elements that contains tile range for each dimension [start, fence)

Member Function Documentation

convert() [1/4]

template<size_t NDIM>

void sc::MTensor< NDIM >::convert	(	const Ref< DistArray4 > &	src,
		unsigned int	tbtype,
		const element_index_map &	eimap0,
		const element_index_map &	eimap1,
		const element_index_map &	eimap2,
		const element_index_map &	eimap3,
		element_ranges const *	mapped_element_ranges = 0,
		bool	src_is_2301 = false
	)

copies contents of src to this.

indexing of elements in src may be different from that in this. arrays eimap0 through eimap3 provide mapping

src integrals are assumed to not be antisymmetrized

mapped_element_ranges specifies the elements contained in src. Tiles that request elements outside these ranges will be skipped. Default to allow all elements.

Parameters

src_is_2301

set to true if src contains <2 3|0 1> integrals

convert() [2/4]

template<size_t NDIM>

template<typename SrcType >

void sc::MTensor< NDIM >::convert ( const SrcType &  src, const element_index_map &  eimap0, const element_index_map &  eimap1, element_ranges const *  mapped_element_ranges = 0  )

inline

copies contents of src to this.

src is assumed to be a RefSCMatrix or a RefSymmSCMatrix indexing of elements in src may be different from that in this. arrays eimap0 through eimap3 provide mapping

src integrals are assumed to not be antisymmetrized

References sc::Tensor::add_block(), sc::Tensor::exists(), sc::Tensor::is_this_local(), and sc::ExEnv::out0().

convert() [3/4]

template<size_t NDIM>

template<typename SrcType >

void sc::MTensor< NDIM >::convert ( const SrcType &  src, int  n1, int  n3, const element_index_map &  eimap0, const element_index_map &  eimap1, const element_index_map &  eimap2, const element_index_map &  eimap3, element_ranges const *  mapped_element_ranges = 0  )

inline

copies contents of src to this.

src is assumed to be a RefSCMatrix or a RefSymmSCMatrix indexing of elements in src may be different from that in this. arrays eimap0 through eimap3 provide mapping.

src integrals are assumed to not be antisymmetrized.

to compute antisymmetrized integrals src must contain (01|23) and (01|32) or (10|23). if it doesn't, use convert() function that takes 2 src tensors.

References sc::Tensor::exists(), sc::Tensor::is_this_local(), sc::ExEnv::out0(), and sc::Tensor::put_block().

convert() [4/4]

template<size_t NDIM>

template<typename SrcType >

void sc::MTensor< NDIM >::convert ( const SrcType &  src0, const SrcType &  src1, int  n0, int  n1, int  n2, int  n3, const element_index_map &  eimap0, const element_index_map &  eimap1, const element_index_map &  eimap2, const element_index_map &  eimap3, element_ranges const *  mapped_element_ranges = 0, bool  src1_is_1023 = false  )

inline

copies contents of (src0, src1) to this, where src0 = (01|23) and src1 = (01|32), if src1_is_1023 == false, or src1 = (10|23), if src1_is_1023 == true.

.src arrays are assumed to be RefSCMatrix or RefSymmSCMatrix indexing of elements in src arrays may be different from that in this. arrays eimap0 through eimap3 provide mapping.

src integrals are assumed to not be antisymmetrized.

References sc::Tensor::exists(), sc::Tensor::is_this_local(), sc::ExEnv::out0(), and sc::Tensor::put_block().

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

• src/lib/chemistry/qc/ccr12/mtensor.h