sc_EriCints (3) - Linux Manuals

Command to display sc_EriCints manual in Linux: $ man 3 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)

Detailed Description