[]Struct lumol::sim::mc::MonteCarloBuilder

pub struct MonteCarloBuilder { /* fields omitted */ }

Builder for MonteCarlo struct

Implementations

impl MonteCarloBuilder

pub fn new(temperature: f64) -> MonteCarloBuilder

Create a new Monte Carlo propagator at temperature T.

pub fn from_rng(
    temperature: f64,
    rng: Box<dyn RngCore + 'static, Global>
) -> MonteCarloBuilder

Create a Monte Carlo propagator at temperature T, using the rng random number generator.

pub fn add(
    &mut self,
    mcmove: Box<dyn MCMove + 'static, Global>,
    frequency: f64,
    target_acceptance: impl Into<Option<f64>>
)

Add the mcmove Monte Carlo move to the propagator. frequency describes how frequently the move will be called, and target_acceptance is the desired acceptance ratio of the move.

pub fn finish(self) -> MonteCarlo

Normalize the frequencies for all moves and get the corresponding MonteCarlo propagator

Auto Trait Implementations

impl !RefUnwindSafe for MonteCarloBuilder

impl !Send for MonteCarloBuilder

impl !Sync for MonteCarloBuilder

impl Unpin for MonteCarloBuilder

impl !UnwindSafe for MonteCarloBuilder

Blanket Implementations

impl<T> Any for T where
    T: 'static + ?Sized
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impl<T> Borrow<T> for T where
    T: ?Sized
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impl<T> BorrowMut<T> for T where
    T: ?Sized
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impl<T> From<T> for T[src]

impl<T, U> Into<U> for T where
    U: From<T>, 
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impl<T> Pointable for T

type Init = T

The type for initializers.

impl<T, U> TryFrom<U> for T where
    U: Into<T>, 
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type Error = Infallible

The type returned in the event of a conversion error.

impl<T, U> TryInto<U> for T where
    U: TryFrom<T>, 
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type Error = <U as TryFrom<T>>::Error

The type returned in the event of a conversion error.

impl<V, T> VZip<V> for T where
    V: MultiLane<T>,