sc::int2ecca(3)
NAME
sc::Int2eCCA - Int2eCCA adapts CCA integrals components for use within
SC.
SYNOPSIS
#include <int2e.h> Inherits sc::RefCount. Public Member Functions Int2eCCA (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, int order, size_t storage, IntegralEvaluatorFactory, bool, string) double * buffer () void compute_erep (int is, int js, int ks, int ls) void compute_erep_1der (int is, int js, int ks, int ls, Chemistry::QC::GaussianBasis::DerivCenters &dc) int redundant () const void set_redundant (int i) Protected Attributes Integral * integral_
Detailed Description
Int2eCCA adapts CCA integrals components for use within SC.
It is used by TwoBodyIntCCA and TwoBodyDerivIntCCA to implement the
IntegralCCA class.
Author
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