sc_GRTCints (3) - Linux Manuals
NAME
sc::GRTCints -
GRTCints is a specialization of Int2eCints that computes two-electron integrals specific to linear R12 methods.
SYNOPSIS
#include <grt.h>
Public Member Functions
GRTCints (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.
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)
Detailed Description
GRTCints is a specialization of Int2eCints that computes two-electron integrals specific to linear R12 methods.
Author
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