OneBodySOInt computes two-center one-electron integrals in a symmetry-adapted basis. More...

Inheritance diagram for sc::OneBodySOInt:

Public Member Functions
	OneBodySOInt (const Ref< OneBodyInt > &)

Ref< SOBasis >	basis () const

Ref< SOBasis >	basis1 () const

Ref< SOBasis >	basis2 () const

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

virtual void	compute_shell (int so_shell1, int so_shell2)
	computes an SO shell doublet of integrals More...

virtual void	reinitialize ()

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. 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::RefCount
	RefCount (const RefCount &)

RefCount &	operator= (const RefCount &)

Detailed Description

OneBodySOInt computes two-center one-electron integrals in a symmetry-adapted basis.

Member Function Documentation

virtual void sc::OneBodySOInt::compute_shell	(	int	so_shell1,
		int	so_shell2
	)

virtual

computes an SO shell doublet of 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() )

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