sc::OneBodyDerivIntV3 Class Reference

This implements one body derivative integrals in the IntV3 library. More...

#include <chemistry/qc/intv3/obintv3.h>

Inheritance diagram for sc::OneBodyDerivIntV3:

[legend]

List of all members.

Public Member Functions
	OneBodyDerivIntV3 (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, IntegralFunction)
void	compute_shell (int, int, DerivCenters &)
	Compute the derivative integrals and place the result in the buffer returned by buffer().
void	compute_shell (int, int, int)
	Compute the derivative integrals with respect to the given center and place the result in the buffer returned by buffer().
Protected Types
typedef void(Int1eV3::*	IntegralFunction )(int, int, int, int)
Protected Attributes
Ref< Int1eV3 >	int1ev3_
IntegralFunction	intfunc_

---

Detailed Description

This implements one body derivative integrals in the IntV3 library.

It is given a function pointer to the Int1eV3 member that computes the particular integral of interest.

---

Member Function Documentation

void sc::OneBodyDerivIntV3::compute_shell	(	int	ish,
		int	jsh,
		DerivCenters &
	)			[virtual]

Compute the derivative integrals and place the result in the buffer returned by buffer().

Implements sc::OneBodyDerivInt.

void sc::OneBodyDerivIntV3::compute_shell	(	int	ish,
		int	jsh,
		int	center
	)			[virtual]

Compute the derivative integrals with respect to the given center and place the result in the buffer returned by buffer().

Implements sc::OneBodyDerivInt.

---

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

• src/lib/chemistry/qc/intv3/obintv3.h