sc_Int2eCCA3
Int2ecca adapts cca integrals components for use within sc.
Usage
#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.
Releases
5 releases since Debian 4.0 (Etch); the text changed 4 times.