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::EriCints - EriCints is a specialization of Int2eCints that computes electron repulsion integrals.

Author

       Generated automatically by Doxygen for MPQC from the source code.

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

Detailed Description

EriCints is a specialization of Int2eCints that computes electron repulsion integrals.

Name

       sc::EriCints - EriCints is a specialization of Int2eCints that computes electron repulsion integrals.

Synopsis

       #include <eri.h>

       Inherits sc::Int2eCints.

   PublicMemberFunctionsEriCints (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, const Ref<
           GaussianBasisSet > &, const Ref< GaussianBasisSet > &, size_t storage)
       double * buffer (TwoBodyInt::tbint_type te_type) const
           Returns the location of the buffer with target integrals.
       void compute_quartet (int *, int *, int *, int *)
           Evaluate the target quartet of integrals.

   StaticPublicMemberFunctions
       static size_t storage_required (const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2=0,
           const Ref< GaussianBasisSet > &b3=0, const Ref< GaussianBasisSet > &b4=0)

   AdditionalInheritedMembers

See Also