Struct ElasticSpec 

pub struct ElasticSpec {
    pub model: ElasticModelChoice,
    pub potential: PotentialChoice,
    pub exchange: bool,
    pub correlation_polarization: Option<CorrelationPolarizationSpec>,
}

[electron.elastic].

Fields

model: ElasticModelChoice

The elastic model.

potential: PotentialChoice

The atomic potential (required: the only one that runs is a stand-in, and the input must say so).

exchange: bool

Furness-McCarthy exchange correction.

correlation_polarization: Option<CorrelationPolarizationSpec>

Correlation-polarization correction, absent for off.

Trait Implementations

impl Clone for ElasticSpec

fn clone(&self) -> ElasticSpec

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for ElasticSpec

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for ElasticSpec

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for ElasticSpec

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

Equality operator ==.

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

Inequality operator !=.

impl Serialize for ElasticSpec

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

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl StructuralPartialEq for ElasticSpec