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sc::SOTransform(3) MPQC sc::SOTransform(3)

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

#include <sobasis.h>


void set_naoshell (int n)
 
void add_transform (int aoshell, int irrep, double coef, int aofunc, int sofunc)
 
Adds another term to the transform.


int naoshell_allocated
 
int naoshell
 
The number of AO shells that make up this SO shell. SOTransformShell * aoshell
 
The SOTransformShell object for each AO.

SOTransform maintains a list of AO shells that are be used to compute the SO.
The information is stored in objects of type SOTransformShell.

Generated automatically by Doxygen for MPQC from the source code.
Tue Jan 1 2019 Version 2.3.1

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