sc::detail::MolecularOrbitalAttributes Struct Reference

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

#include <chemistry/qc/mbptr12/orbitalspace.h>

Inheritance diagram for sc::detail::MolecularOrbitalAttributes:

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List of all members.

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

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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/mbptr12/orbitalspace.h