Enum XCFunctional 

pub enum XCFunctional {
    LDA,
    PW91,
    PBE,
    RPBE,
    WC,
    PBESOL,
    BLYP,
    HF,
    HF_LDA,
    sX,
    sX_LDA,
    PBE0,
    B3LYP,
    HSE03,
    HSE06,
    RSCAN,
}

Variants

LDA

PW91

PBE

RPBE

WC

PBESOL

BLYP

HF

HF_LDA

sX

sX_LDA

PBE0

B3LYP

HSE03

HSE06

RSCAN

Trait Implementations

impl Clone for XCFunctional

fn clone(&self) -> XCFunctional

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for XCFunctional

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

Formats the value using the given formatter.

impl Default for XCFunctional

fn default() -> XCFunctional

Returns the “default value” for a type.

impl<'de> Deserialize<'de> for XCFunctional

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Display for XCFunctional

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

Formats the value using the given formatter.

impl Hash for XCFunctional

fn hash<__H: Hasher>(&self, state: &mut __H)

Feeds this value into the given Hasher.

fn hash_slice<H>(data: &[Self], state: &mut H)

where H: Hasher, Self: Sized,

Feeds a slice of this type into the given Hasher.

impl KeywordDisplay for XCFunctional

fn field(&self) -> String

fn output(&self) -> String

impl Ord for XCFunctional

fn cmp(&self, other: &XCFunctional) -> Ordering

This method returns an Ordering between self and other.

fn max(self, other: Self) -> Self

where Self: Sized,

Compares and returns the maximum of two values.

fn min(self, other: Self) -> Self

where Self: Sized,

Compares and returns the minimum of two values.

fn clamp(self, min: Self, max: Self) -> Self

where Self: Sized,

Restrict a value to a certain interval.

impl PartialEq for XCFunctional

fn eq(&self, other: &XCFunctional) -> 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 PartialOrd for XCFunctional

fn partial_cmp(&self, other: &XCFunctional) -> Option<Ordering>

This method returns an ordering between self and other values if one exists.

fn lt(&self, other: &Rhs) -> bool

Tests less than (for self and other) and is used by the < operator.

fn le(&self, other: &Rhs) -> bool

Tests less than or equal to (for self and other) and is used by the <= operator.

fn gt(&self, other: &Rhs) -> bool

Tests greater than (for self and other) and is used by the > operator.

fn ge(&self, other: &Rhs) -> bool

Tests greater than or equal to (for self and other) and is used by the >= operator.

impl Serialize for XCFunctional

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 XCFunctional

impl Eq for XCFunctional

impl StructuralPartialEq for XCFunctional