| sc::Int2eCCA(3) | MPQC | sc::Int2eCCA(3) |
sc::Int2eCCA - Int2eCCA adapts CCA integrals components for use within SC.
#include <int2e.h>
Inherits sc::RefCount.
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)
Integral * integral_
Int2eCCA adapts CCA integrals components for use within SC.
It is used by TwoBodyIntCCA and TwoBodyDerivIntCCA to implement the IntegralCCA class.
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| Sun Oct 4 2020 | Version 2.3.1 |