MPQC 2.3.1
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Int2eCCA adapts CCA integrals components for use within SC. More...
#include <int2e.h>
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_ |
Int2eCCA adapts CCA integrals components for use within SC.
It is used by TwoBodyIntCCA and TwoBodyDerivIntCCA to implement the IntegralCCA class.