[]Struct lumol::energy::Harmonic

pub struct Harmonic {
    pub k: f64,
    pub x0: f64,
}

Harmonic potential.

$$ V(x) = \frac{1}{2} k (x - x_0)^2 $$

where $x_0$ is the distance equilibrium, and $k$ the elastic constant.

Examples

let potential = Harmonic { x0: 2.0, k: 100.0 };
assert_eq!(potential.energy(2.0), 0.0);
assert_eq!(potential.energy(3.0), 50.0);

assert_eq!(potential.force(2.0), 0.0);
assert_eq!(potential.force(1.5), 50.0);

Fields

k: f64

Spring constant

x0: f64

Equilibrium value

Trait Implementations

impl DihedralPotential for Harmonic

impl BondPotential for Harmonic

fn virial(&self, r: &Vector3D) -> Matrix3

Compute the virial contribution corresponding to the distance r between the particles. Read more

impl Copy for Harmonic

impl AnglePotential for Harmonic

impl Clone for Harmonic

fn clone_from(&mut self, source: &Self)
1.0.0
[src]

Performs copy-assignment from source. Read more

impl PairPotential for Harmonic

fn virial(&self, r: &Vector3D) -> Matrix3

Compute the virial contribution corresponding to the distance r between the particles. Read more

impl Potential for Harmonic

impl FromToml for Harmonic

Auto Trait Implementations

impl Send for Harmonic

impl Sync for Harmonic

Blanket Implementations

impl<T> From for T[src]

impl<T, U> Into for T where
    U: From<T>, 
[src]

impl<T> ToOwned for T where
    T: Clone
[src]

type Owned = T

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

type Error = !

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

The type returned in the event of a conversion error.

impl<T> Borrow for T where
    T: ?Sized
[src]

impl<T> BorrowMut for T where
    T: ?Sized
[src]

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

type Error = <U as TryFrom<T>>::Error

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

The type returned in the event of a conversion error.

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

impl<P> Potential for P where
    P: 'static + Computation + Clone