sc_Int2eCCA man page

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_

Additional Inherited Members

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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Info

Fri May 6 2016 Version 2.3.1 MPQC