Enum ExchangeCorrelationFunctional 

pub enum ExchangeCorrelationFunctional {
    LDA,
    PBE,
    B3LYP,
    M06,
    WB97XD,
    HF,
}

Exchange-correlation functionals

Variants

LDA

Local Density Approximation

PBE

Perdew-Burke-Ernzerhof

B3LYP

B3LYP hybrid functional

M06

M06 meta-hybrid functional

WB97XD

ωB97X-D range-separated hybrid

HF

Hartree-Fock (exact exchange)

Trait Implementations

impl Clone for ExchangeCorrelationFunctional

fn clone(&self) -> ExchangeCorrelationFunctional

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for ExchangeCorrelationFunctional

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for ExchangeCorrelationFunctional

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for ExchangeCorrelationFunctional

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

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

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl Copy for ExchangeCorrelationFunctional

impl Eq for ExchangeCorrelationFunctional

impl StructuralPartialEq for ExchangeCorrelationFunctional