# [−]Struct lumol::energy::Harmonic

Harmonic potential.

$$ V(x) = \frac{1}{2} k (x - x_0)^2 $$

where $x_0$ is the distance equilibrium, and $k$ the elastic constant.

# Examples

let potential = Harmonic { x0: 2.0, k: 100.0 }; assert_eq!(potential.energy(2.0), 0.0); assert_eq!(potential.energy(3.0), 50.0); assert_eq!(potential.force(2.0), 0.0); assert_eq!(potential.force(1.5), 50.0);

## Fields

`k: f64`

Spring constant

`x0: f64`

Equilibrium value

## Trait Implementations

`impl DihedralPotential for Harmonic`

`impl DihedralPotential for Harmonic`

`impl BondPotential for Harmonic`

`impl BondPotential for Harmonic`

`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 AnglePotential for Harmonic`

`impl AnglePotential for Harmonic`

`impl PairPotential for Harmonic`

`impl PairPotential for Harmonic`

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

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

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

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

`fn tail_virial(&self, 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 Harmonic`

`impl Potential for Harmonic`

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

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

Get the energy corresponding to the variable `x`

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

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

Get the force norm corresponding to the variable `x`

`impl Copy for Harmonic`

`impl Copy for Harmonic`

`impl Clone for Harmonic`

`impl Clone for Harmonic`

`fn clone(&self) -> Harmonic`

`fn clone(&self) -> Harmonic`

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 Harmonic`

`impl FromToml for Harmonic`

## 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,

[src]

`impl<T> Borrow for T where`

T: ?Sized,

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

[src]

`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,