# [−]Struct lumol::energy::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);

## Methods

`impl Mie`

`impl Mie`

## Trait Implementations

`impl PairPotential for Mie`

`impl PairPotential for Mie`

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

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

Compute the tail correction to the energy for the given cutoff. Read more

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

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

Compute the tail correction to the virial for the given cutoff. Read more

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

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

Compute the virial contribution corresponding to the distance `r`

between the particles. Read more

`impl Potential for Mie`

`impl Potential for Mie`

`fn energy(&self, r: f64) -> f64`

`fn energy(&self, r: f64) -> f64`

Get the energy corresponding to the variable `x`

`fn force(&self, r: f64) -> f64`

`fn force(&self, r: f64) -> f64`

Get the force norm corresponding to the variable `x`

`impl Copy for Mie`

`impl Copy for Mie`

`impl Clone for Mie`

`impl Clone for Mie`

`fn clone(&self) -> Mie`

`fn clone(&self) -> Mie`

Returns a copy of the value. Read more

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

1.0.0[src]

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

Performs copy-assignment from `source`

. Read more

`impl FromToml for Mie`

`impl FromToml for Mie`

## Auto Trait Implementations

## Blanket Implementations

`impl<T> ToOwned for T where`

T: Clone,

[src]

`impl<T> ToOwned for T where`

T: Clone,

`type Owned = T`

`fn to_owned(&self) -> T`

[src]

`fn to_owned(&self) -> T`

Creates owned data from borrowed data, usually by cloning. Read more

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

[src]

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

## 🔬 This is a nightly-only experimental API. (`toowned_clone_into`

)

recently added

Uses borrowed data to replace owned data, usually by cloning. Read more

`impl<T> From for T`

[src]

`impl<T> From for T`

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

U: From<T>,

[src]

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

U: From<T>,

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

T: From<U>,

[src]

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

T: From<U>,

`type Error = !`

`try_from`

)The type returned in the event of a conversion error.

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

[src]

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

`try_from`

)Performs the conversion.

`impl<T> Borrow for T where`

T: ?Sized,

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`impl<T> Borrow for T where`

T: ?Sized,

#### ⓘImportant traits for &'a mut R`fn borrow(&self) -> &T`

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`fn borrow(&self) -> &T`

Immutably borrows from an owned value. Read more

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

U: TryFrom<T>,

[src]

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

U: TryFrom<T>,

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

`try_from`

)The type returned in the event of a conversion error.

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

[src]

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

`try_from`

)Performs the conversion.

`impl<T> BorrowMut for T where`

T: ?Sized,

[src]

`impl<T> BorrowMut for T where`

T: ?Sized,

#### ⓘImportant traits for &'a mut R`fn borrow_mut(&mut self) -> &mut T`

[src]

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

Mutably borrows from an owned value. Read more

`impl<T> Any for T where`

T: 'static + ?Sized,

[src]

`impl<T> Any for T where`

T: 'static + ?Sized,

`fn get_type_id(&self) -> TypeId`

[src]

`fn get_type_id(&self) -> TypeId`

## 🔬 This is a nightly-only experimental API. (`get_type_id`

)

this method will likely be replaced by an associated static

Gets the `TypeId`

of `self`

. Read more

`impl<P> Potential for P where`

P: 'static + Computation + Clone,

`impl<P> Potential for P where`

P: 'static + Computation + Clone,