sc::OneBodyIntCints Class Reference

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

#include <obintcints.h>

Inheritance diagram for sc::OneBodyIntCints:

List of all members.

Public Member Functions
	OneBodyIntCints (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.

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Detailed Description

This implements most one body integrals in the Cints library.

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

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Member Function Documentation

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

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

Implements sc::OneBodyInt.

bool sc::OneBodyIntCints::cloneable

(

)

[virtual]

Return true if the clone member can be called.

The default implementation returns false.

Reimplemented from sc::OneBodyInt.

Ref<OneBodyInt> sc::OneBodyIntCints::clone

(

)

[virtual]

Returns a clone of this.

The default implementation throws an exception.

Reimplemented from sc::OneBodyInt.

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

• obintcints.h