Provided by: libsc-doc_2.3.1-21_all
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.
Author
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