NAME

       sc::TwoBodyThreeCenterIntV3 - This implements electron repulsion integrals involving three
       centers in the IntV3 library.

SYNOPSIS

       #include <tbintv3.h>

       Inherits sc::TwoBodyThreeCenterInt.

   Public Member Functions
       TwoBodyThreeCenterIntV3 (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref<
           GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, size_t storage)
       int log2_shell_bound (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)
           Given three 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_

   Additional Inherited Members

Detailed Description

       This implements electron repulsion integrals involving three centers in the IntV3 library.

Member Function Documentation

   void sc::TwoBodyThreeCenterIntV3::compute_shell (int, int, int) [virtual]
       Given three shell indices, integrals will be computed and placed in the buffer. The first
       two indices correspond to electron 1 and the second index corresponds to electron 2.

       Implements sc::TwoBodyThreeCenterInt.

   int sc::TwoBodyThreeCenterIntV3::log2_shell_bound (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::TwoBodyThreeCenterInt.

Author

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