ActiveSpaceConfig

quantrs2_sim::quantum_chemistry_dmrg

Struct ActiveSpaceConfig 

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pub struct ActiveSpaceConfig {
    pub active_electrons: usize,
    pub active_orbitals: usize,
    pub orbital_selection: OrbitalSelectionStrategy,
    pub energy_window: Option<(f64, f64)>,
    pub occupation_threshold: f64,
}
Expand description

Active space configuration

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§active_electrons: usize

Number of active electrons

§active_orbitals: usize

Number of active orbitals

§orbital_selection: OrbitalSelectionStrategy

Orbital selection strategy

§energy_window: Option<(f64, f64)>

Energy window for orbital selection

§occupation_threshold: f64

Natural orbital occupation threshold

Trait Implementations§

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impl Clone for ActiveSpaceConfig

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fn clone(&self) -> ActiveSpaceConfig

Returns a duplicate 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 Debug for ActiveSpaceConfig

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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 Default for ActiveSpaceConfig

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fn default() -> Self

Returns the “default value” for a type. Read more
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impl<'de> Deserialize<'de> for ActiveSpaceConfig

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fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>
where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer. Read more
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impl Serialize for ActiveSpaceConfig

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fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>
where __S: Serializer,

Serialize this value into the given Serde serializer. Read more

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🔬This is a nightly-only experimental API. (clone_to_uninit)
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