sc::MolecularOrbitalAttributes Struct Reference

MO is irrep, energy, occupation number. More...

#include <chemistry/qc/wfn/orbitalspace.h>

Inheritance diagram for sc::MolecularOrbitalAttributes:

Public Member Functions
	MolecularOrbitalAttributes (unsigned int irrep, double energy, double occnum)
unsigned int	irrep () const
double	energy () const
double	occnum () const

Detailed Description

MO is irrep, energy, occupation number.

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The documentation for this struct was generated from the following file:

• src/lib/chemistry/qc/wfn/orbitalspace.h