Provided by: libsc-doc_2.3.1-21_all bug

NAME

       sc::TwoBodyIntCints - This implements electron repulsion integrals in the IntCints library.

SYNOPSIS

       #include <tbintcints.h>

       Inherits sc::TwoBodyInt.

   Public Member Functions
       TwoBodyIntCints (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet >
           &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage, tbinteval
           int2etype)
       int log2_shell_bound (int, int, int, int)
           Return log base 2 of the maximum magnitude of any integral in a shell block obtained from
           compute_shell.
       void compute_shell (int, int, int, int)
           Given four shell indices, integrals will be computed and placed in the buffer.
       size_t used_storage () const
       void set_integral_storage (size_t storage)
           This storage is used to cache computed integrals.
       const double * buffer (tbint_type te_type) const
           The computed shell integrals will be put in the buffer returned by this member.

   Protected Attributes
       Ref< Int2eCints > int2ecints_

   Additional Inherited Members

Detailed Description

       This implements electron repulsion integrals in the IntCints library.

Member Function Documentation

   const double* sc::TwoBodyIntCints::buffer (tbint_type type) const [inline],  [virtual]
       The computed shell integrals will be put in the buffer returned by this member. Some TwoBodyInt
       specializations have more than one buffer: The type arguments selects which buffer is returned. If the
       requested type is not supported, then 0 is returned.

       Reimplemented from sc::TwoBodyInt.

   void sc::TwoBodyIntCints::compute_shell (int, int, int, int) [virtual]
       Given four shell indices, integrals will be computed and placed in the buffer. The first two indices
       correspond to electron 1 and the second two indices correspond to electron 2.

       Implements sc::TwoBodyInt.

   int sc::TwoBodyIntCints::log2_shell_bound (int, int, int, int) [virtual]
       Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_shell.
       An index of -1 for any argument indicates any shell.

       Implements sc::TwoBodyInt.

Author

       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                                    Sun Oct 4 2020                           sc::TwoBodyIntCints(3)