sc_GRTCints - Man Page

GRTCints is a specialization of Int2eCints that computes two-electron integrals specific to linear R12 methods.

Synopsis

#include <grt.h>

Inherits sc::Int2eCints.

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)

Additional Inherited Members

Detailed Description

GRTCints is a specialization of Int2eCints that computes two-electron integrals specific to linear R12 methods.

Member Function Documentation

double * sc::GRTCints::buffer (TwoBodyInt::tbint_type) const [inline], [virtual]

Returns the location of the buffer with target integrals.

Implements sc::Int2eCints.

void sc::GRTCints::compute_quartet (int *, int *, int *, int *) [virtual]

Evaluate the target quartet of integrals.

Implements sc::Int2eCints.

Author

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Info

Thu Jul 21 2022 Version 2.3.1 MPQC