sc::sotransformshell(3)
NAME
sc::SOTransformShell - SOTransformShell maintains a list of AO
functions contribute to an SO function in a particular SO shell.
SYNOPSIS
#include <sobasis.h> Public Member Functions void add_func (int irrep, double coef, int aofunc, int sofunc) Add another function to the transform. Public Attributes 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.
Detailed Description
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.
Author
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