RecurrenceRelation describes all recurrence relations. More...

#include <rr.h>

Inheritance diagram for libint2::RecurrenceRelation:

Collaboration diagram for libint2::RecurrenceRelation:

Public Types
typedef RecurrenceRelation	this_type

typedef AlgebraicOperator< DGVertex >	ExprType
	Numerical expression of a recurrence relation is always expressed as an AlgebraicOperator<DGVertex>

Public Member Functions
virtual unsigned int	num_children () const =0
	num_children() returns the actual number of children. More...

virtual SafePtr< DGVertex >	rr_child (unsigned int i) const =0
	Returns i-th child. More...

virtual SafePtr< DGVertex >	rr_target () const =0
	Returns the target. More...

const SafePtr< ExprType > &	rr_expr () const
	Returns the expression.

virtual bool	is_simple () const =0
	Returns true is this recurrence relation is simple enough to optimize away. More...

virtual bool	invariant_type () const
	Returns true is the type of target and all children are exactly the same. More...

virtual int	partindex_direction () const

virtual BraketDirection	braket_direction () const

size_t	size_of_children () const

const std::string &	label () const
	label() returns a unique, short, descriptive label of this RR (e.g. More...

virtual std::string	description () const
	description() returns a verbose description of this RR

virtual void	generate_code (const SafePtr< CodeContext > &context, const SafePtr< ImplicitDimensions > &dims, const std::string &funcname, std::ostream &decl, std::ostream &def)
	Generate declaration and definition for the recurrence relation.

virtual void	generate_generic_code (const SafePtr< CodeContext > &context, const SafePtr< ImplicitDimensions > &dims, const std::string &funcname, std::ostream &decl, std::ostream &def)
	Generate declaration and definition for the recurrence relation using generic code (typically, a manually written code)

virtual std::string	spfunction_call (const SafePtr< CodeContext > &context, const SafePtr< ImplicitDimensions > &dims) const
	Generate a callback for this recurrence relation. More...

unsigned int	nflops () const
	Return the number of FLOPs per this recurrence relation.

void	inst_id (const SingletonStack< RecurrenceRelation, std::string >::InstanceID &i)
	RecurrenceRelation is managed by SingletonStack but doesn't need to keep track of instance ID.

Protected Member Functions
void	add_expr (const SafePtr< ExprType > &a, int minus=1)
	Adds a (or -a, if minus = -1) to expr_.

virtual std::string	generate_label () const =0
	Generates the label. More...

template<class RR >
bool	register_with_rrstack ()
	Registers with the stack.

Protected Attributes
unsigned int	nflops_

std::string	label_

SafePtr< ExprType >	expr_

Detailed Description

RecurrenceRelation describes all recurrence relations.

Member Function Documentation

◆ braket_direction()

virtual BraketDirection libint2::RecurrenceRelation::braket_direction ( ) const

inlinevirtual

Returns: BraketDirection::BraToKet if recurrence relation transfers quanta from function in bra to function in ket, BraketDirection::KetToBra if the transfer is from ket to bra, and BraketDirection::None if neither.

Reimplemented in libint2::HRR< IntType, BFSet, part, loc_a, pos_a, loc_b, pos_b >.

◆ generate_label()

virtual std::string libint2::RecurrenceRelation::generate_label ( ) const

protectedpure virtual

Generates the label.

Referenced by label().

◆ invariant_type()

bool RecurrenceRelation::invariant_type ( ) const

virtual

Returns true is the type of target and all children are exactly the same.

Reimplemented in libint2::IntegralSet_to_Integrals.

◆ is_simple()

virtual bool libint2::RecurrenceRelation::is_simple ( ) const

pure virtual

Returns true is this recurrence relation is simple enough to optimize away.

As a result of such optimization, standalone function will NOT be generated for this recurrence relation. Instead, it's source will be inlined and optimized.

◆ label()

const std::string & RecurrenceRelation::label ( ) const

label() returns a unique, short, descriptive label of this RR (e.g.

"VRR A (p s | 1/r_{12} | d s )" for Obara-Saika recurrence relation applied to center A to compute (ps|ds) ERI)

References generate_label().

Referenced by description(), generate_code(), and spfunction_call().

◆ num_children()

virtual unsigned int libint2::RecurrenceRelation::num_children ( ) const

pure virtual

num_children() returns the actual number of children.

For example, VRR for ERIs has 5 children on the right-hand side, however, for some ERI classes (ss|ps) the actual number may be smaller.

Referenced by size_of_children(), and spfunction_call().

◆ partindex_direction()

virtual int libint2::RecurrenceRelation::partindex_direction ( ) const

inlinevirtual

Returns: 1 if recurrence relation transfers quanta from particle from to particle to where from < to , -1 if from > to , and 0 if neither

Reimplemented in libint2::ITR_11_TwoPRep_11< ERI, BFSet, part, where >.