# [−]Struct lumol::BornMayerHuggins

pub struct BornMayerHuggins {
pub a: f64,
pub c: f64,
pub d: f64,
pub sigma: f64,
pub rho: f64,
}

Born-Mayer-Huggins potential.

$$V(x) = A \exp \left(\frac{\sigma - r}{\rho} \right) - \frac{C}{r^6} + \frac{D}{r^8}$$

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

# Examples

let potential = BornMayerHuggins { a: 2.0, c: 1.0, d: 0.5, sigma: 1.5, rho: 5.3 };
assert_eq!(potential.energy(2.2), 1.7446409593340713);
assert_eq!(potential.force(2.2), 0.30992873382584607);

## Fields

a: f64

Exponential term energetic constant

c: f64

1/r^6 term energetic constant

d: f64

1/r^8 term energetic constant

sigma: f64

Sphere diameter length constant

rho: f64

Width of the exponential term length constant

## Blanket Implementations

### impl<T> Pointable for T

#### type Init = T

The type for initializers.

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

#### type Owned = T

The resulting type after obtaining ownership.

### 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.