sc_Int1eCCA3
Int1ecca adapts cca integrals components for use within sc.
Usage
#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_
Additional Inherited Members
Detailed Description
Int1eCCA adapts CCA integrals components for use within SC.
It is used by OneBodyIntCCA and OneBodyDerivIntCCA to implement the IntegralCCA class.
Releases
5 releases since Debian 4.0 (Etch); the text changed 4 times.