Struct RelativisticWavefunction 

pub struct RelativisticWavefunction {
    pub tag_name: String,
    pub index: usize,
    pub label: String,
    pub principal_quantum_number: i32,
    pub angular_momentum: i32,
    pub total_angular_momentum: f64,
    pub occupation: f64,
}

Public UPF data model. A relativistic wavefunction entry.

Fields

tag_name: String

Original UPF tag name, for example PP_RELWFC.1.

index: usize

Orbital index.

label: String

Orbital label from the els attribute.

ELS is the generator-provided electronic-state label.

principal_quantum_number: i32

Principal quantum number n.

angular_momentum: i32

Angular momentum quantum number l.

total_angular_momentum: f64

Total angular momentum quantum number j.

occupation: f64

Orbital occupation.

Trait Implementations

impl Clone for RelativisticWavefunction

fn clone(&self) -> RelativisticWavefunction

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for RelativisticWavefunction

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for RelativisticWavefunction

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for RelativisticWavefunction

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

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 RelativisticWavefunction