sc_EriCints(3)

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

Section 3 libsc-doc bookworm source

Description

sc::EriCints

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.