28 #ifndef _chemistry_qc_intv3_cartitv3_h 29 #define _chemistry_qc_intv3_cartitv3_h 31 #include <chemistry/qc/basis/cartiter.h> 68 return (((((((am)+1)<<1)-(i))*((i)+1))>>1)-(j)-1);
80 return (((((((am)+1)<<1)-(i))*((i)+1))>>1)-(j)-1);
RedundantCartesianIter objects loop through all possible combinations of a given number of axes...
Definition: cartiter.h:80
void start()
Start the iteration.
Definition: cartitv3.h:39
void next()
Move to the next Cartesian function.
Definition: cartitv3.h:44
Definition: cartitv3.h:60
CartesianIter gives the ordering of the Cartesian functions within a shell for the particular integra...
Definition: cartiter.h:39
Definition: cartitv3.h:72
int b()
Returns the exponent of y.
Definition: cartiter.h:64
int a()
Returns the exponent of x.
Definition: cartiter.h:62
CartesianIter(int l)
Initialize an iterator for the given angular momentum.
int l()
Returns the angular momentum.
Definition: cartiter.h:68
Definition: cartitv3.h:35
int bfn()
Return the current Cartesian basis function number.
Definition: cartitv3.h:64
Like RedundantCartesianIter, except a, b, and c are fixed to a given value.
Definition: cartiter.h:170
int bfn()
Return the current Cartesian basis function number.
Definition: cartitv3.h:76