Struct Boxcar 

pub struct Boxcar {
    pub epsilon: f64,
    pub left: f64,
    pub right: f64,
}

Constant valued potential in a given range of r (not differentiable).

U(r) = \begin{cases}
0 & r \lt a \\
\varepsilon & a \le r \lt b \\
0 & r \ge b
\end{cases}

Compute boxcar potential function. Some uses of this in the literature call it the “square well” potential.

Examples

Basic usage:

use hoomd_interaction::univariate::{Boxcar, UnivariateEnergy};

let epsilon = 1.5;
let (left, right) = (1.0, 2.5);

let boxcar = Boxcar {
    epsilon,
    left,
    right,
};
assert_eq!(boxcar.energy(0.0), 0.0);
assert_eq!(boxcar.energy(1.0), 1.5);
assert_eq!(boxcar.energy(2.0), 1.5);
assert_eq!(boxcar.energy(2.5), 0.0);
assert_eq!(boxcar.energy(1000.0), 0.0);

The parameters are public fields and may be accessed directly:

use hoomd_interaction::univariate::{Boxcar, UnivariateEnergy};

let mut boxcar = Boxcar {
    epsilon: 1.5,
    left: 1.0,
    right: 2.5,
};
boxcar.epsilon = -2.0;
boxcar.left = 0.0;
boxcar.right = 1.0;

Fields

epsilon: f64

Energy scale ([energy]).

left: f64

Left side of the boxcar ([length]).

right: f64

Right side of the boxcar ([length]).

Trait Implementations

impl Clone for Boxcar

fn clone(&self) -> Boxcar

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for Boxcar

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for Boxcar

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for Boxcar

fn eq(&self, other: &Boxcar) -> bool

Tests for self and other values to be equal, and is used by ==.

fn ne(&self, other: &Rhs) -> bool

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl Serialize for Boxcar

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl UnivariateEnergy for Boxcar

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

Compute the energy as a function of one variable.

impl StructuralPartialEq for Boxcar