table of contents
sc::GRTCints(3) | MPQC | sc::GRTCints(3) |
NAME¶
sc::GRTCints - 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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Fri Dec 2 2022 | Version 2.3.1 |