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sc::OneBodyInt Class Reference

OneBodyInt is an abstract base class for objects that compute integrals between two basis functions. More...

#include <obint.h>

Inheritance diagram for sc::OneBodyInt:

[legend]Collaboration diagram for sc::OneBodyInt:

[legend]List of all members.

Public Methods
virtual	~OneBodyInt ()
int	nbasis () const
	Returns the number of basis functions on center one.
int	nshell () const
	Return the number of shells on center one.
Ref< GaussianBasisSet >	basis ()
	Return the basis set on center one.
const double *	buffer () const
	Returns the buffer where the integrals are placed.
virtual void	compute_shell (int, int)=0
	Computes the integrals between basis functions in the given shell pair.
virtual void	reinitialize ()
	This is called for one body integrals that take data to let them know that the data they reference has changed.
virtual bool	cloneable ()
	Return true if the clone member can be called. More...
virtual Ref< OneBodyInt >	clone ()
	Returns a clone of this. More...
Integral *	integral () const
int	nbasis1 () const
int	nbasis2 () const
int	nshell1 () const
int	nshell2 () const
Ref< GaussianBasisSet >	basis1 ()
Ref< GaussianBasisSet >	basis2 ()
Protected Methods
	OneBodyInt (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2=0)
Protected Attributes
Integral *	integral_
Ref< GaussianBasisSet >	bs1_
Ref< GaussianBasisSet >	bs2_
double *	buffer_

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Detailed Description

OneBodyInt is an abstract base class for objects that compute integrals between two basis functions.

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Member Function Documentation

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

Returns a clone of this. The default implementation throws an exception. Reimplemented in sc::OneBodyIntCints.

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

Return true if the clone member can be called. The default implementation returns false. Reimplemented in sc::OneBodyIntCints.

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

• basis/obint.h

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