Struct Harmonic 

pub struct Harmonic {
    pub k: f64,
    pub r_0: f64,
}

Quadratic potential well centered at a given separation distance.

U = \frac{1}{2} k (r - r_0)^2

Compute the harmonic potential and force as a function of r with equilibrium spring length r_0.

Examples

use approxim::{assert_abs_diff_eq, assert_relative_eq};
use hoomd_interaction::univariate::{
    Harmonic, UnivariateEnergy, UnivariateForce,
};

let k = 2.0;
let r_0 = 0.0;

let harmonic = Harmonic { k, r_0 };
assert_abs_diff_eq!(harmonic.energy(0.0), 0.0);
assert_relative_eq!(harmonic.energy(1.0), 1.0);
assert_abs_diff_eq!(harmonic.force(1.0), -2.0, epsilon = 1e-12);

The parameters are public fields and may be accessed directly:

use hoomd_interaction::univariate::Harmonic;

let mut harmonic = Harmonic { k: 1.0, r_0: 0.0 };
harmonic.k = 5.0;
harmonic.r_0 = 1.0;

Fields

k: f64

Spring constant $[\mathrm{energy}] [\mathrm{length}]^{-2}$.

r_0: f64

Equilibrium spring length $[\mathrm{length}]$.

Trait Implementations

impl Clone for Harmonic

fn clone(&self) -> Harmonic

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for Harmonic

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for Harmonic

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for Harmonic

fn eq(&self, other: &Harmonic) -> 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 Harmonic

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 Harmonic

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

Compute the energy as a function of one variable.

impl UnivariateForce for Harmonic

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

Compute force as a function of one variable.

impl StructuralPartialEq for Harmonic