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sc::EriCints(3) MPQC sc::EriCints(3)

NAME

sc::EriCints - EriCints is a specialization of Int2eCints that computes electron repulsion integrals.

SYNOPSIS

#include <eri.h>

Inherits sc::Int2eCints.

Public Member Functions


EriCints (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

EriCints is a specialization of Int2eCints that computes electron repulsion integrals.

Member Function Documentation

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

Returns the location of the buffer with target integrals.

Implements sc::Int2eCints.

void sc::EriCints::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