Struct MixCutOffEnergy 

pub struct MixCutOffEnergy {
    pub cutoff_energy: f64,
    pub unit: Option<EnergyUnit>,
}

This keyword determines the cutoff energy for the densities used in the density mixing scheme. The value specified determines the extent of the grid used for mixing old and new densities. Density components with wave vectors higher than that specified are not mixed.

Default

The default value is the CUT_OFF_ENERGY.

Example

MIX_CUT_OFF_ENERGY : 250.0 eV

Fields

cutoff_energy: f64

unit: Option<EnergyUnit>

Trait Implementations

impl Clone for MixCutOffEnergy

fn clone(&self) -> MixCutOffEnergy

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for MixCutOffEnergy

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

Formats the value using the given formatter.

impl Default for MixCutOffEnergy

fn default() -> MixCutOffEnergy

Returns the “default value” for a type.

impl<'de> Deserialize<'de> for MixCutOffEnergy

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Display for MixCutOffEnergy

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

Formats the value using the given formatter.

impl From<f64> for MixCutOffEnergy

fn from(value: f64) -> MixCutOffEnergy

Converts to this type from the input type.

impl KeywordDisplay for MixCutOffEnergy

fn field(&self) -> String

fn output(&self) -> String

impl PartialEq for MixCutOffEnergy

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

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

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 MixCutOffEnergy

impl StructuralPartialEq for MixCutOffEnergy