qualia_core_db::specialized_libs::physics_simulation

Struct MolecularDynamicsResult

pub struct MolecularDynamicsResult {
    pub num_particles: usize,
    pub times: Vec<f64>,
    pub final_positions: Vec<f64>,
    pub final_velocities: Vec<f64>,
    pub energy_initial: f64,
    pub energy_final: f64,
    pub energy_drift_rel: f64,
    pub temperature: f64,
    pub steps_accepted: u32,
    pub steps_rejected: u32,
}

Expand description

Result of run_molecular_dynamics (MolecularDynamics), Lennard-Jones in 2D.

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§num_particles: usize§times: Vec<f64>§final_positions: Vec<f64>§final_velocities: Vec<f64>§energy_initial: f64§energy_final: f64§energy_drift_rel: f64§temperature: f64

Instantaneous kinetic temperature (reduced units, kB=1): 2·KE/dof.

§steps_accepted: u32§steps_rejected: u32

Trait Implementations§

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impl Clone for MolecularDynamicsResult

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fn clone(&self) -> MolecularDynamicsResult

Returns a duplicate of the value. Read more

1.0.0 (const: unstable) · Source§

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source. Read more

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impl Debug for MolecularDynamicsResult

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

Formats the value using the given formatter. Read more

Auto Trait Implementations§

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impl UnwindSafe for MolecularDynamicsResult

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impl<S, A> Aggregate<Result<S, Error>> for A
where A: Aggregate<S>,

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fn from_shares<T>(iter: T) -> Result<A, Error>
where T: IntoIterator<Item = Result<S, Error>>,

Aggregate shares in an MPC protocol.

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impl<T> Any for T
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Gets the TypeId of self. Read more

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impl<T> BorrowMut<T> for T
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fn borrow_mut(&mut self) -> &mut T

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impl<T> CloneToUninit for T
where T: Clone,

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unsafe fn clone_to_uninit(&self, dest: *mut u8)

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

Performs copy-assignment from self to dest. Read more

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fn downcast(&self) -> &T

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impl<T> From<T> for T

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fn from(t: T) -> T

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fn from_ref(input: &T) -> T

Converts to this type from a reference to the input type.

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fn instrument(self, span: Span) -> Instrumented<Self>

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Converts self into a Left variant of Either<Self, Self> if into_left is true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more

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Converts self into a Left variant of Either<Self, Self> if into_left(&self) returns true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more

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