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sc::TwoBodyTwoCenterIntV3 - This implements electron repulsion integrals involving two centers in the

Author

       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                                    Sun Oct 4 2020                     sc::TwoBodyTwoCenterIntV3(3)

Detailed Description

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

Member Function Documentation

voidsc::TwoBodyTwoCenterIntV3::compute_shell(int,int)[virtual]
       Given four shell indices, integrals will be computed and placed in the buffer. The first index
       corresponds to electron 1 and the second index corresponds to electron 2.

       Implements sc::TwoBodyTwoCenterInt.

   intsc::TwoBodyTwoCenterIntV3::log2_shell_bound(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::TwoBodyTwoCenterInt.

Name

       sc::TwoBodyTwoCenterIntV3 - This implements electron repulsion integrals involving two centers in the
       IntV3 library.

Synopsis

       #include <tbintv3.h>

       Inherits sc::TwoBodyTwoCenterInt.

   PublicMemberFunctionsTwoBodyTwoCenterIntV3 (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet
           > &b2, size_t storage)
       int log2_shell_bound (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)
           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.

   ProtectedAttributesRef< Int2eV3 > int2ev3_AdditionalInheritedMembers

See Also