MolecularHamiltonian

quantrs2_device::quantum_ml::variational_algorithms

Struct MolecularHamiltonian 

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pub struct MolecularHamiltonian {
    pub one_body_integrals: Vec<Vec<f64>>,
    pub two_body_integrals: Vec<Vec<Vec<Vec<f64>>>>,
    pub nuclear_repulsion: f64,
    pub num_orbitals: usize,
}
Expand description

Molecular Hamiltonian representation

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§one_body_integrals: Vec<Vec<f64>>§two_body_integrals: Vec<Vec<Vec<Vec<f64>>>>§nuclear_repulsion: f64§num_orbitals: usize

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Trait Implementations§

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impl Clone for MolecularHamiltonian

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fn clone(&self) -> MolecularHamiltonian

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 MolecularHamiltonian

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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<'de> Deserialize<'de> for MolecularHamiltonian

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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 MolecularHamiltonian

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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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