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sc::TwoBodyDerivInt(3)		     MPQC		sc::TwoBodyDerivInt(3)

NAME
       sc::TwoBodyDerivInt - This is an	abstract base type for classes that
       compute integrals involving two electrons.

SYNOPSIS
       #include	<tbint.h>

       Inherits	sc::RefCount.

       Inherited by sc::TwoBodyDerivIntCCA, sc::TwoBodyDerivIntCints, and
       sc::TwoBodyDerivIntV3.

   Public Member Functions
       int nbasis () const
	   Return the number of	basis functions	on center one.
       int nbasis1 () const
	   Return the number of	basis functions	on center one.
       int nbasis2 () const
	   Return the number of	basis functions	on center two.
       int nbasis3 () const
	   Return the number of	basis functions	on center three.
       int nbasis4 () const
	   Return the number of	basis functions	on center four.
       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.
       int nshell3 () const
	   Return the number of	shells on center three.
       int nshell4 () const
	   Return the number of	shells on center four.
       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.
       Ref< GaussianBasisSet > basis3 ()
	   Return the basis set	on center three.
       Ref< GaussianBasisSet > basis4 ()
	   Return the basis set	on center four.
       const double * buffer ()	const
	   The computed	shell integrals	will be	put in the buffer returned by
	   this	member.
       virtual void compute_shell (int,	int, int, int, DerivCenters &)=0
	   Given for shell indices, this will cause the	integral buffer	to be
	   filled in.
       virtual int log2_shell_bound (int=-1, int=-1, int=-1, int=-1)=0
	   Return log base 2 of	the maximum magnitude of any integral in a
	   shell block.

   Protected Member Functions
       TwoBodyDerivInt (Integral *integral, const Ref< GaussianBasisSet	> &b1,
	   const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet >
	   &b3,	const Ref< GaussianBasisSet > &b4)

   Protected Attributes
       Integral	* integral_
       Ref< GaussianBasisSet > bs1_
       Ref< GaussianBasisSet > bs2_
       Ref< GaussianBasisSet > bs3_
       Ref< GaussianBasisSet > bs4_
       double *	buffer_

Detailed Description
       This is an abstract base	type for classes that compute integrals
       involving two electrons.

Member Function	Documentation
   virtual int sc::TwoBodyDerivInt::log2_shell_bound (int = -1,	int = -1, int
       = -1, int = -1) [pure virtual]
       Return log base 2 of the	maximum	magnitude of any integral in a shell
       block. An index of -1 for any argument indicates	any shell.

       Implemented in sc::TwoBodyDerivIntV3, sc::TwoBodyDerivIntCCA, and
       sc::TwoBodyDerivIntCints.

       Referenced by sc::LocalTBGrad< T	>::run().

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

Version	2.3.1			Sun Feb	28 2021		sc::TwoBodyDerivInt(3)

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

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