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sc::SOTransformShell(3)              MPQC              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 Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Fri Feb 19 2016 sc::SOTransformShell(3)

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