This implements most one body integrals in the Libint2 library. More...

Inheritance diagram for sc::OneBodyIntLibint2:

Public Member Functions
	OneBodyIntLibint2 (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, IntegralFunction)
void	set_multipole_origin (const Ref< DipoleData > &)
void	set_EdotV_origin (const Ref< EfieldDotVectorData > &)
void	set_Q_origin (const Ref< PointChargeData > &)
void	compute_shell (int, int)
	Computes the integrals between basis functions in the given shell pair.
bool	cloneable ()
	Return true if the clone member can be called.
Ref< OneBodyInt >	clone ()
	Returns a clone of this.

Detailed Description

This implements most one body integrals in the Libint2 library.

It is given a function pointer to the Int1e member that computes the particular integral of interest.

Member Function Documentation

Ref<OneBodyInt> sc::OneBodyIntLibint2::clone ( ) [virtual]

Returns a clone of this.

The default implementation throws an exception.

Reimplemented from sc::OneBodyInt.

bool sc::OneBodyIntLibint2::cloneable ( ) [virtual]

Return true if the clone member can be called.

The default implementation returns false.

Reimplemented from sc::OneBodyInt.

void sc::OneBodyIntLibint2::compute_shell	(	int	,
		int
	)		`[virtual]`

Computes the integrals between basis functions in the given shell pair.

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