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. More...

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

void	unmanage ()
	Turn off the reference counting mechanism for this object. More...

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.

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

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

Public Member Functions

Additional Inherited Members

Detailed Description

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

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