Man Linux: Main Page and Category List

NAME

       sc::TwoBodyIntV3 -

       This implements electron repulsion integrals in the IntV3 library.

SYNOPSIS

       #include <tbintv3.h>

       Inherits sc::TwoBodyInt.

   Public Member Functions
       TwoBodyIntV3 (Integral *integral, const Ref< GaussianBasisSet > &b1,
           const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet >
           &b3, const Ref< GaussianBasisSet > &b4, size_t storage)
       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 storage_used ()
       void set_integral_storage (size_t storage)
           This storage is used to cache computed integrals.

   Protected Attributes
       Ref< Int2eV3 > int2ev3_

Detailed Description

       This implements electron repulsion integrals in the IntV3 library.

Member Function Documentation

   void sc::TwoBodyIntV3::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::TwoBodyIntV3::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.