logo
Free, unlimited AI code reviews that run on commit
git-lrc git-lrc GitHub Install Now We'd appreciate a star git-lrc - Free, unlimited AI code reviews that run on commit | Product Hunt git-lrc - Free, unlimited AI code reviews that run on commit | Product Hunt

sc::TwoBodyDerivIntCints - This implements electron repulsion derivative integrals in the IntV3 library.

Author

       Generated automatically by Doxygen for MPQC from the source code.

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

Detailed Description

       This implements electron repulsion derivative integrals in the IntV3 library.

Member Function Documentation

intsc::TwoBodyDerivIntCints::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::TwoBodyDerivIntCints - This implements electron repulsion derivative integrals in the IntV3 library.

Synopsis

       #include <tbintcints.h>

       Inherits sc::TwoBodyDerivInt.

   PublicMemberFunctionsTwoBodyDerivIntCints (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.
       void compute_shell (int, int, int, int, DerivCenters &)
           Given for shell indices, this will cause the integral buffer to be filled in.
       size_t used_storage () const

   ProtectedAttributesRef< Int2eCints > int2ecints_AdditionalInheritedMembers

See Also