28 #ifndef _chemistry_qc_intv3_obintv3_h
29 #define _chemistry_qc_intv3_obintv3_h
31 #include <chemistry/qc/basis/obint.h>
32 #include <chemistry/qc/intv3/int1e.h>
44 typedef void (
Int1eV3::*IntegralFunction)(int,int);
45 IntegralFunction intfunc_;
106 typedef void (
Int1eV3::*IntegralFunction)(int,int,int,int);
107 IntegralFunction intfunc_;
DerivCenters keeps track the centers that derivatives are taken with respect to.
Definition: dercent.h:41
void compute_shell(int, int)
Computes the integrals between basis functions in the given shell pair.
void compute_shell(int, int)
Computes the integrals between basis functions in the given shell pair.
Int1eV3 is a class wrapper for the one body part of the C language IntV3 library.
Definition: intv3/int1e.h:47
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 in the IntV3 library.
Definition: obintv3.h:103
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 most one body integrals in the IntV3 library.
Definition: obintv3.h:41
bool cloneable()
Return true if the clone member can be called.
void compute_shell(int, int)
Computes the integrals between basis functions in the given shell pair.
Ref< OneBodyInt > clone()
Returns a clone of this.
OneBodyInt is an abstract base class for objects that compute integrals between two basis functions.
Definition: obint.h:100
void compute_shell(int, int)
Computes the integrals between basis functions in the given shell pair.
A template class that maintains references counts.
Definition: ref.h:332