Struct GipawReconstruction 

pub struct GipawReconstruction {
    pub core_orbitals: Option<Vec<GipawCoreOrbital>>,
    pub orbitals: Vec<GipawOrbital>,
    pub local_potential: Option<GipawLocalPotential>,
}

Public UPF data model. Gauge including projector augmented-wave reconstruction data from <PP_GIPAW_RECONSTRUCTION>.

GIPAW stands for gauge including projector augmented wave.

Fields

core_orbitals: Option<Vec<GipawCoreOrbital>>

Core orbitals from <PP_GIPAW_CORE_ORBITALS>.

orbitals: Vec<GipawOrbital>

Reconstructed GIPAW orbitals from <PP_GIPAW_ORBITALS>.

local_potential: Option<GipawLocalPotential>

Local-potential reconstruction from <PP_GIPAW_VLOCAL>.

VLOCAL stands for local potential.

Trait Implementations

impl Clone for GipawReconstruction

fn clone(&self) -> GipawReconstruction

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for GipawReconstruction

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for GipawReconstruction

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for GipawReconstruction

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

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 GipawReconstruction