[]Struct lumol::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.


$b$ has to be positive


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


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 Clone for Gaussian

impl Copy for Gaussian

impl FromToml for Gaussian

impl PairPotential for Gaussian

impl Potential for Gaussian

Auto Trait Implementations

impl RefUnwindSafe for Gaussian

impl Send for Gaussian

impl Sync for Gaussian

impl Unpin for Gaussian

impl UnwindSafe for Gaussian

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

impl<T> ToOwned for T where
    T: Clone

type Owned = T

The resulting type after obtaining ownership.

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>,