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MPQC
2.3.1
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SOTransformShell describes how an AO function contributes to an SO function in a particular SO shell. More...
#include <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.