MPQC
3.0.0-alpha
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SOTransformShell describes how an AO function contributes to an SO function in a particular SO shell. More...
#include <chemistry/qc/basis/sobasis.h>
Public Attributes | |
double | coef |
The coefficient of the AO. | |
int | aofunc |
The AO function number. | |
int | sofunc |
The SO function number. | |
int | irrep |
The SO function's irrep. | |
SOTransformShell describes how an AO function contributes to an SO function in a particular SO shell.