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_;
OneBodyInt is an abstract base class for objects that compute integrals between two basis functions...
Definition: obint.h:100
Int1eV3 is a class wrapper for the one body part of the C language IntV3 library. ...
Definition: intv3/int1e.h:47
void compute_shell(int, int)
Computes the integrals between basis functions in the given shell pair.
This implements most one body integrals in the IntV3 library.
Definition: obintv3.h:41
The Integral abstract class acts as a factory to provide objects that compute one and two electron in...
Definition: integral.h:58
void compute_shell(int, int)
Computes the integrals between basis functions in the given shell pair.
bool cloneable()
Return true if the clone member can be called.
OneBodyDerivInt is an abstract base class for objects that compute one body derivative integrals...
Definition: obint.h:390
A template class that maintains references counts.
Definition: ref.h:332
DerivCenters keeps track the centers that derivatives are taken with respect to.
Definition: dercent.h:41
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().
Ref< OneBodyInt > clone()
Returns a clone of this.
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.