[]Struct lumol::energy::CosineHarmonic

pub struct CosineHarmonic { /* fields omitted */ }

Cosine harmonic potential.

$$ V(x) = \frac{1}{2} k \left[\cos(x) - \cos(x_0) \right]^2 $$

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

Examples

let potential = CosineHarmonic::new(/*k*/ 100.0, /*x0*/ 2.0);
assert_eq!(potential.energy(2.0), 0.0);
assert_eq!(potential.energy(3.0), 16.464942078100552);

assert_eq!(potential.force(2.0), 0.0);

Methods

impl CosineHarmonic

Create a new CosineHarmonic potentials, with elastic constant of k and equilibrium value of x0

Trait Implementations

impl DihedralPotential for CosineHarmonic

impl AnglePotential for CosineHarmonic

impl Potential for CosineHarmonic

Get the energy corresponding to the variable x

Get the force norm corresponding to the variable x

impl Copy for CosineHarmonic

impl Clone for CosineHarmonic

Returns a copy of the value. Read more

Performs copy-assignment from source. Read more

impl FromToml for CosineHarmonic

Do the conversion from table to Self.

Auto Trait Implementations

impl Send for CosineHarmonic

impl Sync for CosineHarmonic

Blanket Implementations

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

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

🔬 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]

Performs the conversion.

impl<T, U> Into for T where
    U: From<T>, 
[src]

Performs the conversion.

impl<T, U> TryFrom for T where
    T: From<U>, 
[src]

🔬 This is a nightly-only experimental API. (try_from)

The type returned in the event of a conversion error.

🔬 This is a nightly-only experimental API. (try_from)

Performs the conversion.

impl<T> Borrow for T where
    T: ?Sized
[src]

Important traits for &'a mut R

Immutably borrows from an owned value. Read more

impl<T, U> TryInto for T where
    U: TryFrom<T>, 
[src]

🔬 This is a nightly-only experimental API. (try_from)

The type returned in the event of a conversion error.

🔬 This is a nightly-only experimental API. (try_from)

Performs the conversion.

impl<T> BorrowMut for T where
    T: ?Sized
[src]

Important traits for &'a mut R

Mutably borrows from an owned value. Read more

impl<T> Any for T where
    T: 'static + ?Sized
[src]

🔬 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

Get the energy corresponding to the variable x

Get the force norm corresponding to the variable x