Trait QSym2Driver

pub trait QSym2Driver {
    type Params;
    type Outcome;

    // Required methods
    fn run(&mut self) -> Result<(), Error>;
    fn result(&self) -> Result<&Self::Outcome, Error>;
}

Trait defining behaviours of QSym2 drivers.

Required Associated Types

type Params

The type of the parameter structure controlling the driver.

type Outcome

The type of the successful outcome when executing the driver.

Required Methods

fn run(&mut self) -> Result<(), Error>

Executes the driver and stores the result internally.

fn result(&self) -> Result<&Self::Outcome, Error>

Returns the result of the driver execution.

Implementors

impl QSym2Driver for SymmetryGroupDetectionDriver<'_>

type Params = SymmetryGroupDetectionParams

type Outcome = SymmetryGroupDetectionResult

impl<'a> QSym2Driver for QChemSlaterDeterminantH5Driver<'a, f64>

type Params = SlaterDeterminantRepAnalysisParams<f64>

type Outcome = Vec<(String, String)>

impl<'a> QSym2Driver for QChemSlaterDeterminantH5SinglePointDriver<'a, MagneticRepresentedSymmetryGroup, f64>

type Params = SlaterDeterminantRepAnalysisParams<f64>

type Outcome = (Symmetry, Result<<<MagneticRepresentedGroup<SymmetryOperation, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, MullikenIrcorepSymbol> as CharacterProperties>::CharTab as SubspaceDecomposable<f64>>::Decomposition, String>)

impl<'a> QSym2Driver for QChemSlaterDeterminantH5SinglePointDriver<'a, UnitaryRepresentedSymmetryGroup, f64>

type Params = SlaterDeterminantRepAnalysisParams<f64>

type Outcome = (Symmetry, Result<<<UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>> as CharacterProperties>::CharTab as SubspaceDecomposable<f64>>::Decomposition, String>)

impl<'a> QSym2Driver for MoleculeSymmetrisationBootstrapDriver<'a>

type Params = MoleculeSymmetrisationBootstrapParams

type Outcome = MoleculeSymmetrisationBootstrapResult<'a>

impl<'a> QSym2Driver for DensityRepAnalysisDriver<'a, MagneticRepresentedSymmetryGroup, f64>

type Params = DensityRepAnalysisParams<f64>

type Outcome = DensityRepAnalysisResult<'a, MagneticRepresentedGroup<SymmetryOperation, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, MullikenIrcorepSymbol>, f64>

impl<'a> QSym2Driver for DensityRepAnalysisDriver<'a, MagneticRepresentedSymmetryGroup, Complex<f64>>

type Params = DensityRepAnalysisParams<f64>

type Outcome = DensityRepAnalysisResult<'a, MagneticRepresentedGroup<SymmetryOperation, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, MullikenIrcorepSymbol>, Complex<f64>>

impl<'a> QSym2Driver for DensityRepAnalysisDriver<'a, UnitaryRepresentedSymmetryGroup, f64>

type Params = DensityRepAnalysisParams<f64>

type Outcome = DensityRepAnalysisResult<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, f64>

impl<'a> QSym2Driver for DensityRepAnalysisDriver<'a, UnitaryRepresentedSymmetryGroup, Complex<f64>>

type Params = DensityRepAnalysisParams<f64>

type Outcome = DensityRepAnalysisResult<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, Complex<f64>>

impl<'a> QSym2Driver for MultiDeterminantRepAnalysisDriver<'a, MagneticRepresentedSymmetryGroup, f64, EagerBasis<SlaterDeterminant<'a, f64, SpinConstraint>>, SpinConstraint>

type Params = MultiDeterminantRepAnalysisParams<f64>

type Outcome = MultiDeterminantRepAnalysisResult<'a, MagneticRepresentedGroup<SymmetryOperation, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, MullikenIrcorepSymbol>, f64, EagerBasis<SlaterDeterminant<'a, f64, SpinConstraint>>, SpinConstraint>

impl<'a> QSym2Driver for MultiDeterminantRepAnalysisDriver<'a, MagneticRepresentedSymmetryGroup, f64, OrbitBasis<'a, MagneticRepresentedSymmetryGroup, SlaterDeterminant<'a, f64, SpinConstraint>>, SpinConstraint>

type Params = MultiDeterminantRepAnalysisParams<f64>

type Outcome = MultiDeterminantRepAnalysisResult<'a, MagneticRepresentedGroup<SymmetryOperation, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, MullikenIrcorepSymbol>, f64, OrbitBasis<'a, MagneticRepresentedGroup<SymmetryOperation, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, MullikenIrcorepSymbol>, SlaterDeterminant<'a, f64, SpinConstraint>>, SpinConstraint>

impl<'a> QSym2Driver for MultiDeterminantRepAnalysisDriver<'a, MagneticRepresentedSymmetryGroup, Complex<f64>, EagerBasis<SlaterDeterminant<'a, Complex<f64>, SpinConstraint>>, SpinConstraint>

type Params = MultiDeterminantRepAnalysisParams<f64>

type Outcome = MultiDeterminantRepAnalysisResult<'a, MagneticRepresentedGroup<SymmetryOperation, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, MullikenIrcorepSymbol>, Complex<f64>, EagerBasis<SlaterDeterminant<'a, Complex<f64>, SpinConstraint>>, SpinConstraint>

impl<'a> QSym2Driver for MultiDeterminantRepAnalysisDriver<'a, MagneticRepresentedSymmetryGroup, Complex<f64>, OrbitBasis<'a, MagneticRepresentedSymmetryGroup, SlaterDeterminant<'a, Complex<f64>, SpinConstraint>>, SpinConstraint>

type Params = MultiDeterminantRepAnalysisParams<f64>

type Outcome = MultiDeterminantRepAnalysisResult<'a, MagneticRepresentedGroup<SymmetryOperation, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, MullikenIrcorepSymbol>, Complex<f64>, OrbitBasis<'a, MagneticRepresentedGroup<SymmetryOperation, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, MullikenIrcorepSymbol>, SlaterDeterminant<'a, Complex<f64>, SpinConstraint>>, SpinConstraint>

impl<'a> QSym2Driver for MultiDeterminantRepAnalysisDriver<'a, UnitaryRepresentedSymmetryGroup, f64, EagerBasis<SlaterDeterminant<'a, f64, SpinConstraint>>, SpinConstraint>

type Params = MultiDeterminantRepAnalysisParams<f64>

type Outcome = MultiDeterminantRepAnalysisResult<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, f64, EagerBasis<SlaterDeterminant<'a, f64, SpinConstraint>>, SpinConstraint>

impl<'a> QSym2Driver for MultiDeterminantRepAnalysisDriver<'a, UnitaryRepresentedSymmetryGroup, f64, OrbitBasis<'a, UnitaryRepresentedSymmetryGroup, SlaterDeterminant<'a, f64, SpinConstraint>>, SpinConstraint>

type Params = MultiDeterminantRepAnalysisParams<f64>

type Outcome = MultiDeterminantRepAnalysisResult<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, f64, OrbitBasis<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, SlaterDeterminant<'a, f64, SpinConstraint>>, SpinConstraint>

impl<'a> QSym2Driver for MultiDeterminantRepAnalysisDriver<'a, UnitaryRepresentedSymmetryGroup, Complex<f64>, EagerBasis<SlaterDeterminant<'a, Complex<f64>, SpinConstraint>>, SpinConstraint>

type Params = MultiDeterminantRepAnalysisParams<f64>

type Outcome = MultiDeterminantRepAnalysisResult<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, Complex<f64>, EagerBasis<SlaterDeterminant<'a, Complex<f64>, SpinConstraint>>, SpinConstraint>

impl<'a> QSym2Driver for MultiDeterminantRepAnalysisDriver<'a, UnitaryRepresentedSymmetryGroup, Complex<f64>, OrbitBasis<'a, UnitaryRepresentedSymmetryGroup, SlaterDeterminant<'a, Complex<f64>, SpinConstraint>>, SpinConstraint>

type Params = MultiDeterminantRepAnalysisParams<f64>

type Outcome = MultiDeterminantRepAnalysisResult<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, Complex<f64>, OrbitBasis<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, SlaterDeterminant<'a, Complex<f64>, SpinConstraint>>, SpinConstraint>

impl<'a> QSym2Driver for SlaterDeterminantRepAnalysisDriver<'a, MagneticRepresentedSymmetryGroup, f64, SpinConstraint>

type Params = SlaterDeterminantRepAnalysisParams<f64>

type Outcome = SlaterDeterminantRepAnalysisResult<'a, MagneticRepresentedGroup<SymmetryOperation, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, MullikenIrcorepSymbol>, f64, SpinConstraint>

impl<'a> QSym2Driver for SlaterDeterminantRepAnalysisDriver<'a, MagneticRepresentedSymmetryGroup, Complex<f64>, SpinConstraint>

type Params = SlaterDeterminantRepAnalysisParams<f64>

type Outcome = SlaterDeterminantRepAnalysisResult<'a, MagneticRepresentedGroup<SymmetryOperation, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, MullikenIrcorepSymbol>, Complex<f64>, SpinConstraint>

impl<'a> QSym2Driver for SlaterDeterminantRepAnalysisDriver<'a, MagneticRepresentedSymmetryGroup, Complex<f64>, SpinOrbitCoupled>

type Params = SlaterDeterminantRepAnalysisParams<f64>

type Outcome = SlaterDeterminantRepAnalysisResult<'a, MagneticRepresentedGroup<SymmetryOperation, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, MullikenIrcorepSymbol>, Complex<f64>, SpinOrbitCoupled>

impl<'a> QSym2Driver for SlaterDeterminantRepAnalysisDriver<'a, UnitaryRepresentedSymmetryGroup, f64, SpinConstraint>

type Params = SlaterDeterminantRepAnalysisParams<f64>

type Outcome = SlaterDeterminantRepAnalysisResult<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, f64, SpinConstraint>

impl<'a> QSym2Driver for SlaterDeterminantRepAnalysisDriver<'a, UnitaryRepresentedSymmetryGroup, Complex<f64>, SpinConstraint>

type Params = SlaterDeterminantRepAnalysisParams<f64>

type Outcome = SlaterDeterminantRepAnalysisResult<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, Complex<f64>, SpinConstraint>

impl<'a> QSym2Driver for SlaterDeterminantRepAnalysisDriver<'a, UnitaryRepresentedSymmetryGroup, Complex<f64>, SpinOrbitCoupled>

type Params = SlaterDeterminantRepAnalysisParams<f64>

type Outcome = SlaterDeterminantRepAnalysisResult<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, Complex<f64>, SpinOrbitCoupled>

impl<'a> QSym2Driver for VibrationalCoordinateRepAnalysisDriver<'a, MagneticRepresentedSymmetryGroup, f64>

type Params = VibrationalCoordinateRepAnalysisParams<f64>

type Outcome = VibrationalCoordinateRepAnalysisResult<'a, MagneticRepresentedGroup<SymmetryOperation, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, MullikenIrcorepSymbol>, f64>

impl<'a> QSym2Driver for VibrationalCoordinateRepAnalysisDriver<'a, MagneticRepresentedSymmetryGroup, Complex<f64>>

type Params = VibrationalCoordinateRepAnalysisParams<f64>

type Outcome = VibrationalCoordinateRepAnalysisResult<'a, MagneticRepresentedGroup<SymmetryOperation, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, MullikenIrcorepSymbol>, Complex<f64>>

impl<'a> QSym2Driver for VibrationalCoordinateRepAnalysisDriver<'a, UnitaryRepresentedSymmetryGroup, f64>

type Params = VibrationalCoordinateRepAnalysisParams<f64>

type Outcome = VibrationalCoordinateRepAnalysisResult<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, f64>

impl<'a> QSym2Driver for VibrationalCoordinateRepAnalysisDriver<'a, UnitaryRepresentedSymmetryGroup, Complex<f64>>

type Params = VibrationalCoordinateRepAnalysisParams<f64>

type Outcome = VibrationalCoordinateRepAnalysisResult<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, Complex<f64>>

impl<'a, F> QSym2Driver for RealSpaceFunctionRepAnalysisDriver<'a, MagneticRepresentedSymmetryGroup, f64, F>

where F: Clone + Sync + Send + Fn(&Point3<f64>) -> f64,

type Params = RealSpaceFunctionRepAnalysisParams<f64>

type Outcome = RealSpaceFunctionRepAnalysisResult<'a, MagneticRepresentedGroup<SymmetryOperation, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, MullikenIrcorepSymbol>, f64, F>

impl<'a, F> QSym2Driver for RealSpaceFunctionRepAnalysisDriver<'a, MagneticRepresentedSymmetryGroup, Complex<f64>, F>

where F: Clone + Sync + Send + Fn(&Point3<f64>) -> Complex<f64>,

type Params = RealSpaceFunctionRepAnalysisParams<f64>

type Outcome = RealSpaceFunctionRepAnalysisResult<'a, MagneticRepresentedGroup<SymmetryOperation, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, MullikenIrcorepSymbol>, Complex<f64>, F>

impl<'a, F> QSym2Driver for RealSpaceFunctionRepAnalysisDriver<'a, UnitaryRepresentedSymmetryGroup, f64, F>

where F: Clone + Sync + Send + Fn(&Point3<f64>) -> f64,

type Params = RealSpaceFunctionRepAnalysisParams<f64>

type Outcome = RealSpaceFunctionRepAnalysisResult<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, f64, F>

impl<'a, F> QSym2Driver for RealSpaceFunctionRepAnalysisDriver<'a, UnitaryRepresentedSymmetryGroup, Complex<f64>, F>

where F: Clone + Sync + Send + Fn(&Point3<f64>) -> Complex<f64>,

type Params = RealSpaceFunctionRepAnalysisParams<f64>

type Outcome = RealSpaceFunctionRepAnalysisResult<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, Complex<f64>, F>