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
CartesianIter gives the ordering of the Cartesian functions within a shell for the particular integra...
Definition: cartiter.h:39
int b()
Returns the exponent of y.
Definition: cartiter.h:64
void start()
Start the iteration.
Definition: cints/cartit.h:41
int a()
Returns the exponent of x.
Definition: cartiter.h:62
CartesianIter(int l)
Initialize an iterator for the given angular momentum.
int c()
Returns the exponent of z.
Definition: cartiter.h:66
Definition: cints/cartit.h:35
int l()
Returns the angular momentum.
Definition: cartiter.h:68
int bfn()
Return the current Cartesian basis function number.
Definition: cints/cartit.h:68
Like RedundantCartesianIter, except a, b, and c are fixed to a given value.
Definition: cartiter.h:170
Definition: cints/cartit.h:64
void next()
Move to the next Cartesian function.
Definition: cints/cartit.h:46