NAME
sc::Int1eCCA -
Int1eCCA adapts CCA integrals components for use within SC.
SYNOPSIS
#include <int1e.h>
Inherits sc::RefCount.
Public Member Functions
Int1eCCA (Integral *integral, const Ref< GaussianBasisSet > &b1, const
Ref< GaussianBasisSet > &b2, int order, IntegralEvaluatorFactory,
std::string, bool)
double * buffer ()
void overlap (int ish, int jsh)
void overlap_1der (int ish, int jsh,
Chemistry_QC_GaussianBasis_DerivCenters &dc)
void kinetic (int ish, int jsh)
void kinetic_1der (int ish, int jsh,
Chemistry_QC_GaussianBasis_DerivCenters &dc)
void nuclear (int ish, int jsh)
void nuclear_1der (int ish, int jsh,
Chemistry_QC_GaussianBasis_DerivCenters &dc)
void hcore (int ish, int jsh)
void hcore_1der (int ish, int jsh,
Chemistry_QC_GaussianBasis_DerivCenters &dc)
Protected Attributes
Integral * integral_
Detailed Description
Int1eCCA adapts CCA integrals components for use within SC.
It is used by OneBodyIntCCA and OneBodyDerivIntCCA to implement the
IntegralCCA class.
Author
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