| sc::SOTransformShell(3) | MPQC | sc::SOTransformShell(3) |
sc::SOTransformShell - SOTransformShell maintains a list of AO functions contribute to an SO function in a particular SO shell.
#include <sobasis.h>
void add_func (int irrep, double coef, int aofunc, int
sofunc)
Add another function to the transform.
int aoshell
The number of the AO shell from which these functions come. int nfunc
The number of AO/SO function pairs contributing. SOTransformFunction *
func
The array of SOTransformFunction objects describing the transform.
SOTransformShell maintains a list of AO functions contribute to an SO function in a particular SO shell.
The information is stored in objects of type SOTransformFunction.
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| Sun Oct 4 2020 | Version 2.3.1 |