[]Struct lumol::sim::md::AnisoBerendsenBarostat

pub struct AnisoBerendsenBarostat { /* fields omitted */ }

Anisotropic Berendsen barostat integrator based on velocity-Verlet.

This integrator is neither time-reversible nor symplectic.

Implementations

impl AnisoBerendsenBarostat

pub fn new(timestep: f64, stress: Matrix3, tau: f64) -> AnisoBerendsenBarostat

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

pub fn hydrostatic(
    timestep: f64,
    pressure: f64,
    tau: f64
) -> AnisoBerendsenBarostat

Create a new anisotropic Berendsen barostat with an integration timestep of timestep, using an hydrostatic stress matrix corresponding to the pressure pressure and the barostat time scale tau.

Trait Implementations

impl FromTomlWithData for AnisoBerendsenBarostat

type Data = f64

The type of the additional data needed.

impl Integrator for AnisoBerendsenBarostat

Auto Trait Implementations

impl RefUnwindSafe for AnisoBerendsenBarostat

impl Send for AnisoBerendsenBarostat

impl Sync for AnisoBerendsenBarostat

impl Unpin for AnisoBerendsenBarostat

impl UnwindSafe for AnisoBerendsenBarostat

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>, 
[src]

type Error = Infallible

The type returned in the event of a conversion error.

impl<T, U> TryInto<U> for T where
    U: TryFrom<T>, 
[src]

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>,