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sc::OneBodyDerivInt(3)		     MPQC		sc::OneBodyDerivInt(3)

NAME
       sc::OneBodyDerivInt - OneBodyDerivInt is	an abstract base class for
       objects that compute one	body derivative	integrals.

SYNOPSIS
       #include	<obint.h>

       Inherits	sc::RefCount.

       Inherited by sc::OneBodyDerivIntCCA, and	sc::OneBodyDerivIntV3.

   Public Member Functions
       OneBodyDerivInt (Integral *, const Ref< GaussianBasisSet	> &b)
       OneBodyDerivInt (Integral *, const Ref< GaussianBasisSet	> &b1, const
	   Ref<	GaussianBasisSet > &b2)
       int nbasis () const
	   Return the number of	basis functions	on center one.
       int nbasis1 () const
	   Return the number of	basis functions	on the center one.
       int nbasis2 () const
	   Return the number of	basis functions	on the center two.
       int nshell () const
	   Return the number of	shells on center one.
       int nshell1 () const
	   Return the number of	shells on center one.
       int nshell2 () const
	   Return the number of	shells on center two.
       Ref< GaussianBasisSet > basis ()
	   Return the basis set	on center one.
       Ref< GaussianBasisSet > basis1 ()
	   Return the basis set	on center one.
       Ref< GaussianBasisSet > basis2 ()
	   Return the basis set	on center two.
       const double * buffer ()	const
	   The computed	shell integrals	will be	put in the buffer returned by
	   this	member.
       virtual void compute_shell (int ish, int	jsh, DerivCenters &)=0
	   Compute the derivative integrals and	place the result in the	buffer
	   returned by buffer().
       virtual void compute_shell (int ish, int	jsh, int center)=0
	   Compute the derivative integrals with respect to the	given center
	   and place the result	in the buffer returned by buffer().

   Protected Attributes
       Integral	* integral_
       Ref< GaussianBasisSet > bs1
       Ref< GaussianBasisSet > bs2
       double *	buffer_

   Additional Inherited	Members
Detailed Description
       OneBodyDerivInt is an abstract base class for objects that compute one
       body derivative integrals.

Member Function	Documentation
   const double* sc::OneBodyDerivInt::buffer ()	const
       The computed shell integrals will be put	in the buffer returned by this
       member.

Author
       Generated automatically by Doxygen for MPQC from	the source code.

Version	2.3.1			Thu Dec	2 2021		sc::OneBodyDerivInt(3)

NAME | SYNOPSIS | Detailed Description | Member Function Documentation | Author

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