Struct SpinOrbitData 

pub struct SpinOrbitData {
    pub relativistic_wavefunctions: Vec<RelativisticWavefunction>,
    pub relativistic_beta_projectors: Vec<RelativisticBetaProjector>,
}

Public UPF data model. Spin-orbit data from <PP_SPIN_ORB>.

PP stands for pseudopotential.

Fields

relativistic_wavefunctions: Vec<RelativisticWavefunction>

Relativistic wavefunctions from tags such as <PP_RELWFC.1>.

RELWFC stands for relativistic wavefunction.

relativistic_beta_projectors: Vec<RelativisticBetaProjector>

Relativistic beta projectors from tags such as <PP_RELBETA.1>.

RELBETA stands for relativistic beta projector.

Trait Implementations

impl Clone for SpinOrbitData

fn clone(&self) -> SpinOrbitData

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for SpinOrbitData

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for SpinOrbitData

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for SpinOrbitData

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

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 SpinOrbitData