SpinOrbital Class

Reference

Definition

Namespace:: Microsoft.Quantum.Chemistry.OrbitalIntegrals

Assembly:: Microsoft.Quantum.Chemistry.DataModel.dll

Package:: Microsoft.Quantum.Chemistry.DataModel v0.25.218240

Important

Some information relates to prerelease product that may be substantially modified before it’s released. Microsoft makes no warranties, express or implied, with respect to the information provided here.

Indexing scheme representing a spin-orbital.

public class SpinOrbital : IComparable<Microsoft.Quantum.Chemistry.OrbitalIntegrals.SpinOrbital>, IEquatable<Microsoft.Quantum.Chemistry.OrbitalIntegrals.SpinOrbital>

type SpinOrbital = class
    interface IEquatable<SpinOrbital>
    interface IComparable<SpinOrbital>

Public Class SpinOrbital
Implements IComparable(Of SpinOrbital), IEquatable(Of SpinOrbital)

Inheritance: Object
SpinOrbital

Implements: IComparable<SpinOrbital> IEquatable<SpinOrbital>

Constructors

SpinOrbital()	Empty spin-orbital constructor.
SpinOrbital(Int32, Spin)	Spin-orbital constructor.
SpinOrbital(ValueTuple<Int32,Int32>)	Spin-orbital constructor.
SpinOrbital(ValueTuple<Int32,Spin>)	Spin-orbital constructor.

Fields

Orbital	`orbital` is the orbital index. This integer must satisfy '0 <= orbital < Int32.ManValue'.
Spin	`spin` is the spin index. For electrons, spin=0 is spin up, and spin=1 is spin down. This integer must satisfy '0 <= orbital < Int16.MaxValue'.

Methods

CompareTo(SpinOrbital)	Default comparer for spin orbitals first compares the orbital index, then second compares the spin index.
Enumerate(Int32[], Int32)	This creates all possible spin-orbitals Hamiltonian terms given an array of an even number of orbital indices.
Equals(Object)
Equals(SpinOrbital)
GetHashCode()
ThrowIfInvalid()	Throws an exception if spin-orbital is invalid.
ToInt()	This maps the separate orbital and spin indices of a `SpinOrbital` to a single integer index according to `2*orbitalIndex + spinIndex`.
ToInt(IndexConvention, Int32)	This maps the separate orbital and spin indices of a `SpinOrbital` to a single integer index.
ToString()	Override for string representation of spin-orbital data.

Operators

Equality(SpinOrbital, SpinOrbital)	Boolean equality operator definition.
Implicit(ValueTuple<Int32,Spin> to SpinOrbital)	Implicit operator for creating a spin-orbital.
Inequality(SpinOrbital, SpinOrbital)	Boolean inequality operator definition.

Applies to