Like RedundantCartesianIter, except a, b, and c are fixed to a given value. More...
#include <chemistry/qc/basis/cartiter.h>
Public Member Functions | |
| RedundantCartesianSubIter (int l) | |
| Create a object for the given angular momentum. | |
| virtual int | bfn () const =0 |
| Return the current Cartesian basis function number. More... | |
| virtual void | start (int a, int b, int c) |
| Initialize the iterator. More... | |
| void | next () |
| Move to the next combination of axes. | |
| operator int () const | |
| Returns nonzero if the iterator currently hold valid data. | |
| int | a () const |
| The current exponent of x. | |
| int | b () const |
| The current exponent of y. | |
| int | c () const |
| The current exponent of z. | |
| int | l () const |
| The angular momentum. | |
| int | l (int i) |
| Returns a() if i==0, b() if i==1, and c() if i==2. | |
| int | axis (int i) |
| Return the i'th axis. | |
Detailed Description
Like RedundantCartesianIter, except a, b, and c are fixed to a given value.
Member Function Documentation
◆ bfn()
|
pure virtual |
Return the current Cartesian basis function number.
Since Cartesian basis function index is constant on the iteration range of this object, this is a const function.
- See also
- RedundantCartesianIter for more information
Implemented in sc::RedundantCartesianSubIterCCA, sc::RedundantCartesianSubIterGAMESS, and sc::RedundantCartesianSubIterV3.
◆ start()
|
virtual |
Initialize the iterator.
The constraints on a, b, and c are given as arguments.
Reimplemented in sc::RedundantCartesianSubIterGAMESS, sc::RedundantCartesianSubIterCCA, and sc::RedundantCartesianSubIterV3.
Referenced by sc::RedundantCartesianSubIterV3::start(), sc::RedundantCartesianSubIterCCA::start(), and sc::RedundantCartesianSubIterGAMESS::start().
The documentation for this class was generated from the following file:
- src/lib/chemistry/qc/basis/cartiter.h