sc::TwoBodyIntCCA Class Reference

This implements two body integrals through the CCA interface. More...

#include <tbintcca.h>

Inheritance diagram for sc::TwoBodyIntCCA:

List of all members.

Public Member Functions
	TwoBodyIntCCA (Integral *, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage, IntegralEvaluatorFactory, bool, string)
int	log2_shell_bound (int, int, int, int)
	Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_shell.
void	compute_shell (int, int, int, int)
	Given four shell indices, integrals will be computed and placed in the buffer.
size_t	storage_used ()
void	set_integral_storage (size_t storage)
	This storage is used to cache computed integrals.
int	redundant () const
	If redundant is true, then keep redundant integrals in the buffer.
void	set_redundant (int i)
	See redundant().
Protected Attributes
Ref< Int2eCCA >	int2ecca_

---

Detailed Description

This implements two body integrals through the CCA interface.

---

Member Function Documentation

void sc::TwoBodyIntCCA::compute_shell	(	int	,
		int	,
		int	,
		int
	)			[virtual]

Given four shell indices, integrals will be computed and placed in the buffer.

The first two indices correspond to electron 1 and the second two indices correspond to electron 2.

Implements sc::TwoBodyInt.

int sc::TwoBodyIntCCA::log2_shell_bound	(	int	,
		int	,
		int	,
		int
	)			[virtual]

Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_shell.

An index of -1 for any argument indicates any shell.

Implements sc::TwoBodyInt.

int sc::TwoBodyIntCCA::redundant

(

)

const [inline, virtual]

If redundant is true, then keep redundant integrals in the buffer.

The default is true.

Reimplemented from sc::TwoBodyInt.

---

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

• tbintcca.h