Struct CutoffEnergy 

pub struct CutoffEnergy(/* private fields */);

This keyword specifies the cutoff energy for the plane wave basis sets that will be used in the calculation. If the BASIS_PRECISION is defined, the cutoff energy will be equal to the highest of the cutoff energies associated with the chosen level of accuracy, for the pseudopotentials used in the calculation. If neither the BASIS_PRECISION nor the CUT_OFF_ENERGY are defined, the default cutoff energy is that associated with the FINE level of accuracy, for the pseudopotentials in the calculation.

Note

It is not possible to specify both the BASIS_PRECISION and the CUT_OFF_ENERGY in a single file.

Implementations

impl CutoffEnergy

pub fn value(&self) -> f64

Trait Implementations

impl Clone for CutoffEnergy

fn clone(&self) -> CutoffEnergy

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for CutoffEnergy

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

Formats the value using the given formatter.

impl Default for CutoffEnergy

fn default() -> CutoffEnergy

Returns the “default value” for a type.

impl<'de> Deserialize<'de> for CutoffEnergy

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Display for CutoffEnergy

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

Formats the value using the given formatter.

impl From<f64> for CutoffEnergy

fn from(value: f64) -> Self

Converts to this type from the input type.

impl KeywordDisplay for CutoffEnergy

fn field(&self) -> String

fn output(&self) -> String

impl PartialEq for CutoffEnergy

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

fn partial_cmp(&self, other: &CutoffEnergy) -> 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 CutoffEnergy

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 CutoffEnergy

impl StructuralPartialEq for CutoffEnergy