TwoBodySODerivInt computes four-center two-electron derivative integrals in a symmetry-adapted basis. More...

Inheritance diagram for sc::TwoBodySODerivInt:

Public Member Functions
	TwoBodySODerivInt (const Ref< TwoBodyDerivInt > &)

Ref< SOBasis >	basis () const

Ref< SOBasis >	basis1 () const

Ref< SOBasis >	basis2 () const

Ref< SOBasis >	basis3 () const

Ref< SOBasis >	basis4 () const

const double *	buffer () const
	TODO document TwoBodySODerivInt::buffer()

virtual void	compute_shell (int so_shell1, int so_shell2, int so_shell3, int so_shell4)
	computes an SO shell quartet of derivative integrals

int	redundant () const

int	only_totally_symmetric () const

void	set_only_totally_symmetric (int i)

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 &)

Detailed Description

TwoBodySODerivInt computes four-center two-electron derivative integrals in a symmetry-adapted basis.

Member Function Documentation

virtual void sc::TwoBodySODerivInt::compute_shell	(	int	so_shell1,
		int	so_shell2,
		int	so_shell3,
		int	so_shell4 )

virtual

computes an SO shell quartet of derivative integrals

Parameters

so_shell1	the SO shell index for center 1, so_shell1 $\in$ [ 0, this->basis1()->nshell() )
so_shell2	the SO shell index for center 2, so_shell1 $\in$ [ 0, this->basis2()->nshell() )
so_shell3	the SO shell index for center 3, so_shell1 $\in$ [ 0, this->basis3()->nshell() )
so_shell4	the SO shell index for center 4, so_shell1 $\in$ [ 0, this->basis4()->nshell() )

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