28 #ifndef _chemistry_qc_cints_cartit_h 29 #define _chemistry_qc_cints_cartit_h 31 #include <chemistry/qc/basis/cartiter.h> 36 int *avec, *bvec, *cvec;
76 return ((((
c+1)*
c)>>1)+
c-j);
93 return ((((
c+1)*
c)>>1)+
c-j);
Definition: cints/cartit.h:81
int bfn()
Return the current Cartesian basis function number.
Definition: cints/cartit.h:85
RedundantCartesianIter objects loop through all possible combinations of a given number of axes...
Definition: cartiter.h:80
int b() const
The current exponent of y.
Definition: cartiter.h:203
int c()
The current exponent of z.
Definition: cartiter.h:163
CartesianIter gives the ordering of the Cartesian functions within a shell for the particular integra...
Definition: cartiter.h:39
int l() const
The angular momentum.
Definition: cartiter.h:207
void start()
Start the iteration.
Definition: cints/cartit.h:41
int l()
The angular momentum.
Definition: cartiter.h:108
CartesianIter(int l)
Initialize an iterator for the given angular momentum.
Definition: cints/cartit.h:35
RedundantCartesianIter(int l)
Create a object for the given angular momentum.
int a() const
The current exponent of x.
Definition: cartiter.h:201
int l()
Returns the angular momentum.
Definition: cartiter.h:68
int a()
The current exponent of x.
Definition: cartiter.h:151
int bfn()
Return the current Cartesian basis function number.
Definition: cints/cartit.h:68
RedundantCartesianSubIter(int l)
Create a object for the given angular momentum.
Like RedundantCartesianIter, except a, b, and c are fixed to a given value.
Definition: cartiter.h:170
Definition: cints/cartit.h:64
int c() const
The current exponent of z.
Definition: cartiter.h:205
int b()
The current exponent of y.
Definition: cartiter.h:157
void next()
Move to the next Cartesian function.
Definition: cints/cartit.h:46