Struct ElasticChoice 

pub struct ElasticChoice {
    pub model: ElasticModelChoice,
    pub potential: PotentialChoice,
    pub exchange: bool,
    pub correlation_polarization: BTreeMap<u8, CorrelationPolarization>,
}

The elastic choices after validation.

Fields

model: ElasticModelChoice

The elastic model.

potential: PotentialChoice

The atomic potential.

exchange: bool

Furness-McCarthy exchange on or off.

correlation_polarization: BTreeMap<u8, CorrelationPolarization>

Per-element correlation-polarization inputs (empty when off).

Implementations

impl ElasticChoice

pub fn corrections(&self, z: u8) -> Corrections

The corrections for element z.

pub fn any_correction(&self) -> bool

Whether any correction is on.

pub fn corrections_description(&self) -> String

One line naming the corrections and their inputs, appended to the potential description of every element’s table (empty when none is on).

Trait Implementations

impl Clone for ElasticChoice

fn clone(&self) -> ElasticChoice

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for ElasticChoice

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

Formats the value using the given formatter.

impl PartialEq for ElasticChoice

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

Equality operator ==.

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

Inequality operator !=.

impl StructuralPartialEq for ElasticChoice