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sc::TwoBodyDerivIntCCA - This implements two body derivative integrals through the CCA interface.

Author

       Generated automatically by Doxygen for MPQC from the source code.

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

Detailed Description

       This implements two body derivative integrals through the CCA interface.

Member Function Documentation

intsc::TwoBodyDerivIntCCA::log2_shell_bound(int,int,int,int)[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.

       Implements sc::TwoBodyDerivInt.

Name

       sc::TwoBodyDerivIntCCA - This implements two body derivative integrals through the CCA interface.

Synopsis

       #include <tbintcca.h>

       Inherits sc::TwoBodyDerivInt.

   PublicMemberFunctionsTwoBodyDerivIntCCA (Integral *, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2,
           const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage,
           IntegralEvaluatorFactory, bool, string)
       int log2_shell_bound (int, int, int, int)
           Return log base 2 of the maximum magnitude of any integral in a shell block.
       void compute_shell (int, int, int, int, DerivCenters &)
           Given for shell indices, this will cause the integral buffer to be filled in.
       size_t storage_used ()
       void set_integral_storage (size_t storage)
       int redundant () const
       void set_redundant (int i)

   ProtectedAttributesRef< Int2eCCA > int2ecca_AdditionalInheritedMembers

See Also