Struct qsym2::drivers::representation_analysis::multideterminant::MultiDeterminantRepAnalysisDriver

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pub struct MultiDeterminantRepAnalysisDriver<'a, G, T, B>
where
    G: SymmetryGroupProperties + Clone,
    G::CharTab: SubspaceDecomposable<T>,
    T: ComplexFloat + Lapack,
    <T as ComplexFloat>::Real: From<f64> + LowerExp + Debug,
    B: Basis<SlaterDeterminant<'a, T>> + Clone,
{ /* private fields */ }
Expand description

Driver structure for performing representation analysis on multi-determinantal wavefunctions.

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impl<'a, G, T, B> MultiDeterminantRepAnalysisDriver<'a, G, T, B>
where G: SymmetryGroupProperties + Clone, G::CharTab: SubspaceDecomposable<T>, T: ComplexFloat + Lapack, <T as ComplexFloat>::Real: From<f64> + LowerExp + Debug, B: Basis<SlaterDeterminant<'a, T>> + Clone,

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pub fn builder() -> MultiDeterminantRepAnalysisDriverBuilder<'a, G, T, B>

Returns a builder to construct a MultiDeterminantRepAnalysisDriver structure.

Trait Implementations§

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impl<'a, G, T, B> Clone for MultiDeterminantRepAnalysisDriver<'a, G, T, B>
where G: SymmetryGroupProperties + Clone + Clone, G::CharTab: SubspaceDecomposable<T>, T: ComplexFloat + Lapack + Clone, <T as ComplexFloat>::Real: From<f64> + LowerExp + Debug, B: Basis<SlaterDeterminant<'a, T>> + Clone + Clone,

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fn clone(&self) -> MultiDeterminantRepAnalysisDriver<'a, G, T, B>

Returns a copy of the value. Read more
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fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source. Read more
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impl<'a, G, T, B> Debug for MultiDeterminantRepAnalysisDriver<'a, G, T, B>
where G: SymmetryGroupProperties + Clone, G::CharTab: SubspaceDecomposable<T>, T: ComplexFloat + Lapack, <T as ComplexFloat>::Real: From<f64> + LowerExp + Debug, B: Basis<SlaterDeterminant<'a, T>> + Clone,

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fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter. Read more
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impl<'a, G, T, B> Display for MultiDeterminantRepAnalysisDriver<'a, G, T, B>
where G: SymmetryGroupProperties + Clone, G::CharTab: SubspaceDecomposable<T>, T: ComplexFloat + Lapack, <T as ComplexFloat>::Real: From<f64> + LowerExp + Debug, B: Basis<SlaterDeterminant<'a, T>> + Clone,

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fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter. Read more
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impl<'a> QSym2Driver for MultiDeterminantRepAnalysisDriver<'a, MagneticRepresentedSymmetryGroup, Complex<f64>, EagerBasis<SlaterDeterminant<'a, Complex<f64>>>>

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type Params = MultiDeterminantRepAnalysisParams<f64>

The type of the parameter structure controlling the driver.
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type Outcome = MultiDeterminantRepAnalysisResult<'a, MagneticRepresentedGroup<SymmetryOperation, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, MullikenIrcorepSymbol>, Complex<f64>, EagerBasis<SlaterDeterminant<'a, Complex<f64>>>>

The type of the successful outcome when executing the driver.
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fn result(&self) -> Result<&Self::Outcome, Error>

Returns the result of the driver execution.
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fn run(&mut self) -> Result<(), Error>

Executes the driver and stores the result internally.
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impl<'a> QSym2Driver for MultiDeterminantRepAnalysisDriver<'a, MagneticRepresentedSymmetryGroup, Complex<f64>, OrbitBasis<'a, MagneticRepresentedSymmetryGroup, SlaterDeterminant<'a, Complex<f64>>>>

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type Params = MultiDeterminantRepAnalysisParams<f64>

The type of the parameter structure controlling the driver.
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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>>>>

The type of the successful outcome when executing the driver.
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fn result(&self) -> Result<&Self::Outcome, Error>

Returns the result of the driver execution.
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fn run(&mut self) -> Result<(), Error>

Executes the driver and stores the result internally.
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impl<'a> QSym2Driver for MultiDeterminantRepAnalysisDriver<'a, MagneticRepresentedSymmetryGroup, f64, EagerBasis<SlaterDeterminant<'a, f64>>>

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type Params = MultiDeterminantRepAnalysisParams<f64>

The type of the parameter structure controlling the driver.
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type Outcome = MultiDeterminantRepAnalysisResult<'a, MagneticRepresentedGroup<SymmetryOperation, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, MullikenIrcorepSymbol>, f64, EagerBasis<SlaterDeterminant<'a, f64>>>

The type of the successful outcome when executing the driver.
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fn result(&self) -> Result<&Self::Outcome, Error>

Returns the result of the driver execution.
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fn run(&mut self) -> Result<(), Error>

Executes the driver and stores the result internally.
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impl<'a> QSym2Driver for MultiDeterminantRepAnalysisDriver<'a, MagneticRepresentedSymmetryGroup, f64, OrbitBasis<'a, MagneticRepresentedSymmetryGroup, SlaterDeterminant<'a, f64>>>

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type Params = MultiDeterminantRepAnalysisParams<f64>

The type of the parameter structure controlling the driver.
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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>>>

The type of the successful outcome when executing the driver.
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fn result(&self) -> Result<&Self::Outcome, Error>

Returns the result of the driver execution.
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fn run(&mut self) -> Result<(), Error>

Executes the driver and stores the result internally.
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impl<'a> QSym2Driver for MultiDeterminantRepAnalysisDriver<'a, UnitaryRepresentedSymmetryGroup, Complex<f64>, EagerBasis<SlaterDeterminant<'a, Complex<f64>>>>

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type Params = MultiDeterminantRepAnalysisParams<f64>

The type of the parameter structure controlling the driver.
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type Outcome = MultiDeterminantRepAnalysisResult<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, Complex<f64>, EagerBasis<SlaterDeterminant<'a, Complex<f64>>>>

The type of the successful outcome when executing the driver.
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fn result(&self) -> Result<&Self::Outcome, Error>

Returns the result of the driver execution.
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fn run(&mut self) -> Result<(), Error>

Executes the driver and stores the result internally.
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impl<'a> QSym2Driver for MultiDeterminantRepAnalysisDriver<'a, UnitaryRepresentedSymmetryGroup, Complex<f64>, OrbitBasis<'a, UnitaryRepresentedSymmetryGroup, SlaterDeterminant<'a, Complex<f64>>>>

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type Params = MultiDeterminantRepAnalysisParams<f64>

The type of the parameter structure controlling the driver.
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type Outcome = MultiDeterminantRepAnalysisResult<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, Complex<f64>, OrbitBasis<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, SlaterDeterminant<'a, Complex<f64>>>>

The type of the successful outcome when executing the driver.
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fn result(&self) -> Result<&Self::Outcome, Error>

Returns the result of the driver execution.
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fn run(&mut self) -> Result<(), Error>

Executes the driver and stores the result internally.
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impl<'a> QSym2Driver for MultiDeterminantRepAnalysisDriver<'a, UnitaryRepresentedSymmetryGroup, f64, EagerBasis<SlaterDeterminant<'a, f64>>>

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type Params = MultiDeterminantRepAnalysisParams<f64>

The type of the parameter structure controlling the driver.
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type Outcome = MultiDeterminantRepAnalysisResult<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, f64, EagerBasis<SlaterDeterminant<'a, f64>>>

The type of the successful outcome when executing the driver.
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fn result(&self) -> Result<&Self::Outcome, Error>

Returns the result of the driver execution.
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fn run(&mut self) -> Result<(), Error>

Executes the driver and stores the result internally.
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impl<'a> QSym2Driver for MultiDeterminantRepAnalysisDriver<'a, UnitaryRepresentedSymmetryGroup, f64, OrbitBasis<'a, UnitaryRepresentedSymmetryGroup, SlaterDeterminant<'a, f64>>>

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type Params = MultiDeterminantRepAnalysisParams<f64>

The type of the parameter structure controlling the driver.
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type Outcome = MultiDeterminantRepAnalysisResult<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, f64, OrbitBasis<'a, UnitaryRepresentedGroup<SymmetryOperation, MullikenIrrepSymbol, SymmetryClassSymbol<SymmetryOperation>>, SlaterDeterminant<'a, f64>>>

The type of the successful outcome when executing the driver.
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fn result(&self) -> Result<&Self::Outcome, Error>

Returns the result of the driver execution.
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fn run(&mut self) -> Result<(), Error>

Executes the driver and stores the result internally.

Auto Trait Implementations§

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impl<'a, G, T, B> Freeze for MultiDeterminantRepAnalysisDriver<'a, G, T, B>
where <T as ComplexFloat>::Real: Sized, <G as CharacterProperties>::CharTab: Sized, G: Freeze,

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impl<'a, G, T, B> RefUnwindSafe for MultiDeterminantRepAnalysisDriver<'a, G, T, B>
where <T as ComplexFloat>::Real: Sized + RefUnwindSafe, <G as CharacterProperties>::CharTab: Sized, G: RefUnwindSafe, T: RefUnwindSafe, B: RefUnwindSafe, <<G as CharacterProperties>::CharTab as SubspaceDecomposable<T>>::Decomposition: RefUnwindSafe,

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impl<'a, G, T, B> Send for MultiDeterminantRepAnalysisDriver<'a, G, T, B>
where <T as ComplexFloat>::Real: Sized + Sync, <G as CharacterProperties>::CharTab: Sized, G: Send, T: Sync + Send, B: Sync, <<G as CharacterProperties>::CharTab as SubspaceDecomposable<T>>::Decomposition: Send,

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impl<'a, G, T, B> Sync for MultiDeterminantRepAnalysisDriver<'a, G, T, B>
where <T as ComplexFloat>::Real: Sized + Sync, <G as CharacterProperties>::CharTab: Sized, G: Sync, T: Sync, B: Sync, <<G as CharacterProperties>::CharTab as SubspaceDecomposable<T>>::Decomposition: Sync,

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impl<'a, G, T, B> Unpin for MultiDeterminantRepAnalysisDriver<'a, G, T, B>
where <T as ComplexFloat>::Real: Sized, <G as CharacterProperties>::CharTab: Sized, G: Unpin, <<G as CharacterProperties>::CharTab as SubspaceDecomposable<T>>::Decomposition: Unpin, T: Unpin,

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impl<'a, G, T, B> UnwindSafe for MultiDeterminantRepAnalysisDriver<'a, G, T, B>
where <T as ComplexFloat>::Real: Sized + RefUnwindSafe, <G as CharacterProperties>::CharTab: Sized, G: UnwindSafe, T: RefUnwindSafe + UnwindSafe, B: RefUnwindSafe, <<G as CharacterProperties>::CharTab as SubspaceDecomposable<T>>::Decomposition: UnwindSafe,

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