32#ifndef _chemistry_qc_intcca_obintcca_h
33#define _chemistry_qc_intcca_obintcca_h
35#include <chemistry/qc/basis/obint.h>
36#include <chemistry/qc/intcca/int1e.h>
37#include <Chemistry_QC_GaussianBasis_IntegralEvaluatorFactory.hh>
38#include <Chemistry_QC_GaussianBasis_DerivCenters.hh>
40using namespace Chemistry::QC::GaussianBasis;
51 IntegralEvaluatorFactory eval_factory_;
56 IntegralFunction intfunc_;
60 IntegralEvaluatorFactory, IntegralFunction,
bool );
74 IntegralEvaluatorFactory eval_factory_;
84 IntegralEvaluatorFactory,
DerivCenters keeps track the centers that derivatives are taken with respect to.
Definition: dercent.h:41
Int1eCCA adapts CCA integrals components for use within SC.
Definition: intcca/int1e.h:55
The Integral abstract class acts as a factory to provide objects that compute one and two electron in...
Definition: integral.h:58
This implements one body derivative integrals.
Definition: obintcca.h:72
void compute_shell(int, int, DerivCenters &)
Compute the derivative integrals and place the result in the buffer returned by buffer().
void compute_shell(int, int, int)
Compute the derivative integrals with respect to the given center and place the result in the buffer ...
OneBodyDerivInt is an abstract base class for objects that compute one body derivative integrals.
Definition: obint.h:390
This implements one body integrals through the CCA interface.
Definition: obintcca.h:49
void compute_shell(int, int)
Computes the integrals between basis functions in the given shell pair.
Ref< OneBodyInt > clone()
Returns a clone of this.
bool cloneable()
Return true if the clone member can be called.
OneBodyInt is an abstract base class for objects that compute integrals between two basis functions.
Definition: obint.h:100