Struct HardSphere 

pub struct HardSphere {
    pub diameter: f64,
}

Model infinitely hard spheres when used with PairwiseCutoff (not differentiable).

HardSphere represents each site as a hard sphere with a diameter given by the diameter field.

Fields

diameter: f64

The sphere’s diameter.

Trait Implementations

impl Clone for HardSphere

fn clone(&self) -> HardSphere

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for HardSphere

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for HardSphere

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl MaximumInteractionRange for HardSphere

fn maximum_interaction_range(&self) -> f64

The largest distance between two sites where the pairwise interaction may be non-zero.

impl PartialEq for HardSphere

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

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

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl<S, P> SitePairEnergy<S> for HardSphere

where S: Position<Position = P>, P: Metric,

fn site_pair_energy(&self, site_properties_i: &S, site_properties_j: &S) -> f64

Compute the energy contribution from a pair of sites.

The interaction energy is infinite when two spheres overlap and zero when they do not.

fn site_pair_energy_initial( &self, _site_properties_i: &S, _site_properties_j: &S, ) -> f64

Evaluate the energy contribution from a pair of sites in the initial state.

Hard shapes are assumed to be non-overlapping in the initial state. This implementation always returns zero.

fn is_only_infinite_or_zero() -> bool

Does this potential only ever return infinity or zero?

impl StructuralPartialEq for HardSphere