Struct Switch 

pub struct Switch<P, T> { /* private fields */ }

Switching function wrapper.

Type Parameters

• P: The underlying potential type
• T: The vector type

Implementations

impl<P, T: Vector> Switch<P, T>

pub fn new(inner: P, rs: f64, rc: f64) -> Self

Creates a new switching function wrapper.

Arguments

• inner: The potential to wrap
• rs: Switch-on distance (where switching starts) (length)
• rc: Cutoff distance (where potential is zero) (length)

Panics

In debug mode, panics if rs >= rc.

Example

use potentials::{pair::Lj, meta::Switch};

let lj = Lj::<f64>::new(1.0, 3.4);
let lj_switch: Switch<_, f64> = Switch::new(lj, 9.0, 12.0);

Trait Implementations

impl<P: Clone, T: Clone> Clone for Switch<P, T>

fn clone(&self) -> Switch<P, T>

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl<P: Debug, T: Debug> Debug for Switch<P, T>

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl<P: Potential2<T>, T: Vector> Potential2<T> for Switch<P, T>

fn energy(&self, r_sq: T) -> T

Computes the potential energy.

fn force_factor(&self, r_sq: T) -> T

Computes the force factor.

fn energy_force(&self, r_sq: T) -> (T, T)

Computes both energy and force factor simultaneously.

impl<P: Copy, T: Copy> Copy for Switch<P, T>