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Man Pages


Manual Reference Pages  -  SC_SOTRANSFORM (3)

NAME

sc::SOTransform - SOTransform maintains a list of AO shells that are be used to compute the SO.

CONTENTS

Synopsis

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

Generated automatically by Doxygen for MPQC from the source code.

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Version 2.3.1 SC::SOTRANSFORM (3) Sun Apr 3 2016

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