This is a generic implementation of TwoBodyIntBatch in terms of a TwoBodyInt. More...

#include <chemistry/qc/basis/tbint_batch.h>

Inheritance diagram for sc::TwoBodyIntBatchGeneric< NumCenters >:

Public Types
typedef TwoBodyIntEvalType< NumCenters >::value	TwoBodyIntEval

Public Types inherited from sc::TwoBodyIntBatch< NumCenters >
typedef detail::tuple< NumCenters, unsigned int >	IntTuple

Public Member Functions
	TwoBodyIntBatchGeneric (Ref< TwoBodyIntEval > tbint)

bool	cloneable () const
	Return true if the clone member can be called.

Ref< TwoBodyIntBatch< NumCenters > >	clone ()
	Returns a clone of this.

TwoBodyOperSet::type	type () const
	Returns the type of the operator set that this object computes.

const Ref< TwoBodyOperSetDescr > &	descr () const
	return the operator set descriptor

void	set_integral_storage (size_t storage)
	This storage is used to cache computed integrals.

const std::vector< IntTuple > &	current_batch () const
	returns the shell indices of the current batch

const std::vector< IntTuple > &	start ()

const std::vector< IntTuple > &	fence ()

const double *	buffer (TwoBodyOper::type type=TwoBodyOper::eri) const
	The computed shell integrals will be put in the buffer returned by this member.

template<unsigned int >
void	init (const Ref< IndexRangeIterator< NumCenters > > &i, int s=int())

bool	next ()
	compute next batch, return true if have another may need to be split into have_next and next TODO JTF implement

Public Member Functions inherited from sc::TwoBodyIntBatch< NumCenters >
	TwoBodyIntBatch (Ref< Integral > i)

template<typename Seed >
void	init (const Ref< IndexRangeIterator< NumCenters > > &n, Seed s=Seed())
	prepare to iterate using seed s TODO JTF implement

const Ref< GaussianBasisSet > &	basis (unsigned int c=0) const
	Return the basis set on center c TODO JTF implement.

Integral *	integral () const
	Return the integral factory that was used to create this object.

Public Member Functions inherited from sc::RefCount
size_t	identifier () const
	Return the unique identifier for this object that can be compared for different objects of different types.

int	lock_ptr () const
	Lock this object.

int	unlock_ptr () const
	Unlock this object.

void	use_locks (bool inVal)
	start and stop using locks on this object

refcount_t	nreference () const
	Return the reference count.

refcount_t	reference ()
	Increment the reference count and return the new count.

refcount_t	dereference ()
	Decrement the reference count and return the new count.

int	managed () const
	Return 1 if the object is managed. Otherwise return 0.

Additional Inherited Members
Protected Member Functions inherited from sc::RefCount
	RefCount (const RefCount &)

RefCount &	operator= (const RefCount &)

Protected Attributes inherited from sc::TwoBodyIntBatch< NumCenters >
Ref< Integral >	integral_

Ref< GaussianBasisSet >	bs_ [NumCenters]

std::vector< double >	buffer_

std::vector< IntTuple >	shells_in_buffer_

std::vector< IntTuple >	start_

std::vector< IntTuple >	fence_

size_t	buf_cap_

Detailed Description

template<int NumCenters>
class sc::TwoBodyIntBatchGeneric< NumCenters >

This is a generic implementation of TwoBodyIntBatch in terms of a TwoBodyInt.

Member Function Documentation

◆ buffer()

template<int NumCenters>

const double * sc::TwoBodyIntBatchGeneric< NumCenters >::buffer ( TwoBodyOper::type type = TwoBodyOper::eri ) const

inlinevirtual

The computed shell integrals will be put in the buffer returned by this member.

Some TwoBodyInt specializations have more than one buffer: The type arguments selects which buffer is returned. If the requested type is not supported, then 0 is returned. TODO JTF implement

Implements sc::TwoBodyIntBatch< NumCenters >.