Struct velvet_core::potentials::pair::Mie

pub struct Mie { /* fields omitted */ }

Mie style pair potential.

Implementations

impl Mie

pub fn new(epsilon: f32, sigma: f32, gamma_a: f32, gamma_r: f32) -> Mie

Returns a new Mie style pair potential.

Arguments

• epsilon - Depth of the potential well
• sigma - Distance at which the pair potential energy is zero
• gamma_a - Exponent on the attractive term
• gamma_r - Exponent on the repulsive term

Trait Implementations

impl Clone for Mie

fn clone(&self) -> Mie

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Copy for Mie

impl Debug for Mie

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for Mie

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error> where
    __D: Deserializer<'de>, 

Deserialize this value from the given Serde deserializer.

impl PairPotential for Mie

fn energy(&self, r: f32) -> f32

Returns the potential energy of an atom in a pair separated by a distance r.

fn force(&self, r: f32) -> f32

Returns the magnitude of the force acting on an atom separated from another by a distance r.

impl Potential for Mie

impl Serialize for Mie

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

Serialize this value into the given Serde serializer.