sc::GRTLibint2 Class Reference

GRTLibint2 is a specialization of Int2eLibint2 that computes two-electron integrals specific to linear R12 methods. More...

#include <chemistry/qc/libint2/grt.h>

Inheritance diagram for sc::GRTLibint2:

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List of all members.

Public Member Functions
	GRTLibint2 (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, size_t storage)
double *	buffer (TwoBodyInt::tbint_type te_type) const
void	compute_quartet (int *, int *, int *, int *)
	Evaluate the target quartet of integrals.
Static Public Member Functions
static size_t	storage_required (const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2=0, const Ref< GaussianBasisSet > &b3=0, const Ref< GaussianBasisSet > &b4=0)

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Detailed Description

GRTLibint2 is a specialization of Int2eLibint2 that computes two-electron integrals specific to linear R12 methods.

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The documentation for this class was generated from the following files:

• src/lib/chemistry/qc/libint2/grt.h
• src/lib/chemistry/qc/libint2/grt_quartet_data.h