[]Struct lumol::energy::Gaussian

pub struct Gaussian { /* fields omitted */ }

Gaussian potential.

$$ V(x) = -a \exp(-b x^2) $$

where $a$ is the potential depth and $b$ is the potential width.

Restrictions

$b$ has to be positive

Examples

let potential = Gaussian::new(8.0, 0.5);
assert_eq!(potential.energy(0.0), -8.0);
assert_eq!(potential.force(0.0), 0.0);

Methods

impl Gaussian

pub fn new(a: f64, b: f64) -> Gaussian

Create a new Gaussian potential with a depth of a and a width of b

Trait Implementations

impl Copy for Gaussian

impl Clone for Gaussian

fn clone_from(&mut self, source: &Self)
1.0.0
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Performs copy-assignment from source. Read more

impl PairPotential for Gaussian

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

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

impl Potential for Gaussian

impl FromToml for Gaussian

Auto Trait Implementations

impl Send for Gaussian

impl Sync for Gaussian

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