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sc::GRTCints(3) MPQC sc::GRTCints(3)

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

#include <grt.h>

Inherits sc::Int2eCints.


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

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

Returns the location of the buffer with target integrals.

Implements sc::Int2eCints.

Evaluate the target quartet of integrals.

Implements sc::Int2eCints.

Generated automatically by Doxygen for MPQC from the source code.
Tue Jun 7 2022 Version 2.3.1

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