Struct SemilocalChannel 

pub struct SemilocalChannel {
    pub tag_name: String,
    pub index: Option<usize>,
    pub angular_momentum: i32,
    pub total_angular_momentum: Option<f64>,
    pub values: NumericData,
}

Public UPF data model. A single semi-local potential channel.

Fields

tag_name: String

Original UPF tag name, for example PP_VNL.1.

index: Option<usize>

Optional channel index parsed from the tag suffix.

angular_momentum: i32

Angular momentum quantum number l.

total_angular_momentum: Option<f64>

Total angular momentum quantum number j, when present.

values: NumericData

Channel samples.

Trait Implementations

impl Clone for SemilocalChannel

fn clone(&self) -> SemilocalChannel

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for SemilocalChannel

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for SemilocalChannel

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for SemilocalChannel

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

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 SemilocalChannel