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);
79 void start(
int aa,
int bb,
int cc) {
84 bfn_ = (((((((am)+1)<<1)-(i))*((i)+1))>>1)-(j)-1);
87 int bfn()
const {
return bfn_; }
RedundantCartesianIter(int l)
Create a object for the given angular momentum.
RedundantCartesianIter objects loop through all possible combinations of a given number of axes.
Definition: cartiter.h:82
virtual void start(int a, int b, int c)
Initialize the iterator.
RedundantCartesianSubIter(int l)
Create a object for the given angular momentum.
CartesianIter(int l)
Initialize an iterator for the given angular momentum.
int a()
The current exponent of x.
Definition: cartiter.h:153
Definition: cartitv3.h:60
CartesianIter gives the ordering of the Cartesian functions within a shell for the particular integra...
Definition: cartiter.h:35
void start()
Start the iteration.
Definition: cartitv3.h:39
int l()
Returns the angular momentum.
Definition: cartiter.h:64
void start(int aa, int bb, int cc)
Initialize the iterator.
Definition: cartitv3.h:79
Like RedundantCartesianIter, except a, b, and c are fixed to a given value.
Definition: cartiter.h:172
Definition: cartitv3.h:72
int l() const
The angular momentum.
Definition: cartiter.h:210
int b()
The current exponent of y.
Definition: cartiter.h:159
int a() const
The current exponent of x.
Definition: cartiter.h:204
int bfn() const
Return the current Cartesian basis function number.
Definition: cartitv3.h:87
Definition: cartitv3.h:35
int bfn()
Return the current Cartesian basis function number.
Definition: cartitv3.h:64
int l()
The angular momentum.
Definition: cartiter.h:110
Contains all MPQC code up to version 3.
Definition: mpqcin.h:14
void next()
Move to the next Cartesian function.
Definition: cartitv3.h:44
int b() const
The current exponent of y.
Definition: cartiter.h:206
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