[]Struct lumol::Buckingham

pub struct Buckingham {
    pub a: f64,
    pub c: f64,
    pub rho: f64,

Buckingham potential.

$$ V(x) = A \exp \left(\frac{\sigma - r}{\rho} \right) - \frac{C}{r^6} $$

where $A$ and $C$ are energetic constants, and $\rho$ and $\sigma$ are length parameters.


let potential = Buckingham { a: 2.0, c: 1.0, rho: 5.3 };
assert_eq!(potential.energy(2.2), 1.3117360696239022);
assert_eq!(potential.force(2.2), 0.2251072178835946);


a: f64

Exponential term energetic constant

c: f64

1/r^6 term energetic constant

rho: f64

Width of the exponential term length constant

Trait Implementations

impl Clone for Buckingham

impl Copy for Buckingham

impl FromToml for Buckingham

impl PairPotential for Buckingham

impl Potential for Buckingham

Auto Trait Implementations

impl RefUnwindSafe for Buckingham

impl Send for Buckingham

impl Sync for Buckingham

impl Unpin for Buckingham

impl UnwindSafe for Buckingham

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>,