sc::GenericPetiteList2< C2 > Class Template Reference

This class provides a generalized 2-index petite list. More...

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

Inheritance diagram for sc::GenericPetiteList2< C2 >:

Public Member Functions
	GenericPetiteList2 (const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2)
int	in (int i, int j)
void	symmetrize (const RefSymmSCMatrix &skel, const RefSymmSCMatrix &sym) const
void	symmetrize (const RefSCMatrix &skel, const RefSCMatrix &sym) const
Public Member Functions inherited from sc::GPetiteList2
	GPetiteList2 (const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2)
const Ref< GaussianBasisSet > &	basis1 () const
const Ref< GaussianBasisSet > &	basis2 () const
const Ref< PointGroup > &	point_group () const
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::GPetiteList2
bool	c1 () const
int	order () const
Protected Member Functions inherited from sc::RefCount
	RefCount (const RefCount &)
RefCount &	operator= (const RefCount &)
Protected Attributes inherited from sc::GPetiteList2
int **	shell_map_i_
int **	shell_map_j_
Ref< GaussianBasisSet >	b1_
Ref< GaussianBasisSet >	b2_

Detailed Description

template<class C2>
class sc::GenericPetiteList2< C2 >

This class provides a generalized 2-index petite list.

The template argument is a class that computes an canonical offset given two indices for the particular shell loop structure employed. Example template class parameters are canonical_aa and canonical_ab.

Member Function Documentation

in()

template<class C2 >

int sc::GenericPetiteList2< C2 >::in ( int i, int j )

inlinevirtual

Implements sc::GPetiteList2.

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

• src/lib/chemistry/qc/basis/gpetite.h