# [−]Struct lumol::Mie

Mie potential.

This is a generalization of the Lennard-Jones potential with arbitrary (floating point) exponents.

$$ V(r) = \epsilon \frac{n}{n - m} \frac{n}{m}^\frac{m}{n - m} \left[\left(\frac \sigma r \right)^n - \left(\frac \sigma r \right)^m \right] $$

where $\epsilon$ is an energetic constant, $\sigma$ is a distance constant, and $n$, $m$ are the repulsive and attractive exponents, respectively.

# Restrictions

$n$ has to be larger than $m$

For $m$ smaller than 3.0, there is no analytic tail correction and the energy and force contributions will be set to zero.

# Examples

let potential = Mie::new(/*sigma*/ 2.0, /*epsilon*/ 10.0, /*n*/ 12.0, /*m*/ 6.0); assert_eq!(potential.energy(2.0), 0.0); assert!(f64::abs(potential.energy(3.0) + 3.203365942785746) < 1e-8); assert_eq!(potential.force(2.0), 120.0);

## Implementations

`impl Mie`

## Trait Implementations

`impl Clone for Mie`

`fn clone(&self) -> Mie`

`fn clone_from(&mut self, source: &Self)`

1.0.0[src]

`impl Copy for Mie`

`impl FromToml for Mie`

`impl PairPotential for Mie`

`fn tail_energy(&self, cutoff: f64) -> f64`

`fn tail_virial(&self, cutoff: f64) -> f64`

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

`impl Potential for Mie`

## Auto Trait Implementations

`impl RefUnwindSafe for Mie`

`impl Send for Mie`

`impl Sync for Mie`

`impl Unpin for Mie`

`impl UnwindSafe for Mie`

## Blanket Implementations

`impl<T> Any for T where`

T: 'static + ?Sized,

[src]

T: 'static + ?Sized,

`impl<T> Borrow<T> for T where`

T: ?Sized,

[src]

T: ?Sized,

`impl<T> BorrowMut<T> for T where`

T: ?Sized,

[src]

T: ?Sized,

`fn borrow_mut(&mut self) -> &mut T`

[src]

`impl<T> From<T> for T`

[src]

`impl<T, U> Into<U> for T where`

U: From<T>,

[src]

U: From<T>,

`impl<T> Pointable for T`

`const `**ALIGN**: usize

**ALIGN**: usize

`type Init = T`

The type for initializers.

`unsafe fn init(init: <T as Pointable>::Init) -> usize`

`unsafe fn deref<'a>(ptr: usize) -> &'a T`

`unsafe fn deref_mut<'a>(ptr: usize) -> &'a mut T`

`unsafe fn drop(ptr: usize)`

`impl<P> Potential for P where`

P: 'static + Computation + Clone,

P: 'static + Computation + Clone,

`impl<T> ToOwned for T where`

T: Clone,

[src]

T: Clone,

`type Owned = T`

The resulting type after obtaining ownership.

`fn to_owned(&self) -> T`

[src]

`fn clone_into(&self, target: &mut T)`

[src]

`impl<T, U> TryFrom<U> for T where`

U: Into<T>,

[src]

U: Into<T>,

`type Error = Infallible`

The type returned in the event of a conversion error.

`fn try_from(value: U) -> Result<T, <T as TryFrom<U>>::Error>`

[src]

`impl<T, U> TryInto<U> for T where`

U: TryFrom<T>,

[src]

U: TryFrom<T>,

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

The type returned in the event of a conversion error.

`fn try_into(self) -> Result<U, <U as TryFrom<T>>::Error>`

[src]

`impl<V, T> VZip<V> for T where`

V: MultiLane<T>,

V: MultiLane<T>,