[]Struct lumol::sim::md::BerendsenBarostat

pub struct BerendsenBarostat { /* fields omitted */ }

Berendsen barostat integrator based on velocity-Verlet.

This integrator is neither time-reversible nor symplectic.


impl BerendsenBarostat

pub fn new(timestep: f64, pressure: f64, tau: f64) -> BerendsenBarostat

Create a new Berendsen barostat with an integration timestep of timestep, and a target pressure of pressure and the barostat time scale tau.

Trait Implementations

impl FromTomlWithData for BerendsenBarostat

type Data = f64

The type of the additional data needed.

impl Integrator for BerendsenBarostat

Auto Trait Implementations

impl RefUnwindSafe for BerendsenBarostat

impl Send for BerendsenBarostat

impl Sync for BerendsenBarostat

impl Unpin for BerendsenBarostat

impl UnwindSafe for BerendsenBarostat

Blanket Implementations

impl<T> Any for T where
    T: 'static + ?Sized

impl<T> Borrow<T> for T where
    T: ?Sized

impl<T> BorrowMut<T> for T where
    T: ?Sized

impl<T> From<T> for T[src]

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

impl<T> Pointable for T

type Init = T

The type for initializers.

impl<T, U> TryFrom<U> for T where
    U: Into<T>, 

type Error = Infallible

The type returned in the event of a conversion error.

impl<T, U> TryInto<U> for T where
    U: TryFrom<T>, 

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>,