MPQC 2.3.1
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Int1eCCA adapts CCA integrals components for use within SC. More...
#include <int1e.h>
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_ |
Int1eCCA adapts CCA integrals components for use within SC.
It is used by OneBodyIntCCA and OneBodyDerivIntCCA to implement the IntegralCCA class.