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Microsoft.Quantum.Chemistry Namespace

Classes

Config

Configuration settings for modifying chemistry library behavior.

Convenience

This class contains convenience functions for simulating electronic structure problems.

Convenience.ProblemContainer
Convenience.ProblemContainer.Config
DoubleCoeff.JsonConverter

This JsonConverter encodes the DoubleCoeff as a double.

ElectronicStructureProblem

Represents an electronic structure problem.

Extensions
Extensions.ArrayEqualityComparer<TElement>
Extensions.ArrayLexicographicComparer<TElement>
FciDumpSerializer

Serialization and deserialization support for FCIDUMP formatted problem descriptions.

HTerm
HTermsToGenIdx
HTermsToGenIdx.In
HTermsToGenSys
HTermsToGenSys.In
HTermToGenIdx
HTermToGenIdx.In
IsNotZero
LiQuiD

Methods for loading Hamiltonian data from standard formats into a FermionHamiltonian.

LiQuiDSerializer
QuantityExtensions
TermType

Class containing a indices to a variety of term categories.

Workflows

Collection of convenience functions that package common chemistry problem workflows.

Structs

BasisSet
BoundedQuantity<TValue>
DoubleCoeff

Boxed version of double that implements the ITermValue interface that requires all values to have a method to compute its norm.

Geometry
LiQuiD.ProblemDescription
Quantity<TValue>

Interfaces

IHasMetadata
IHasUnits
ITermIndex<TTermClassification,TTermIndex>

All Hamiltonian terms must implement this interface.

ITermValue<TTermValue>

All Hamiltonian terms must implement this interface.

Enums

IndexConvention

Available indexing convention from a spin-orbital index to an integer.

IntegralDataFormat

Represents the possible formats that can be used to represent integral data sets.

RaisingLowering

Enum for raising or lowering operator.

SerializationFormat
Spin

Spin index up/down enumeration type.

StateType

Wavefunction types

TermType.Fermion
TermType.OrbitalIntegral
TermType.PauliTerm