MPQC  3.0.0-alpha
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sc::MolecularOrbitalAttributes Struct Reference
mpqc.Chemistry » mpqc.Chemistry.ElectronicStructure » mpqc.Chemistry.ElectronicStructure.OneBody

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

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

Inheritance diagram for sc::MolecularOrbitalAttributes:
sc::MolecularSpinOrbitalAttributes

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.

The documentation for this struct was generated from the following file:
Generated at Sun Jan 26 2020 23:24:07 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.8.16.