sc::sotransform(3)
NAME
sc::SOTransform - SOTransform maintains a list of AO shells that are be
used to compute the SO.
SYNOPSIS
#include <sobasis.h> Public Member Functions void set_naoshell (int n) void add_transform (int aoshell, int irrep, double coef, int aofunc, int sofunc) Adds another term to the transform. Public Attributes int naoshell_allocated int naoshell The number of AO shells that make up this SO shell. SOTransformShell * aoshell The SOTransformShell object for each AO.
Detailed Description
SOTransform maintains a list of AO shells that are be used to compute
the SO.
The information is stored in objects of type SOTransformShell.
Author
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