Struct FiniteBasisSpacing 

pub struct FiniteBasisSpacing { /* private fields */ }

This keyword determines the spacing of cutoff energies used to estimate the BasisDeDloge in automatic calculation of the finite basis set correction. Points are chosen such that the CutoffEnergy corresponds to the highest energy in the set of FiniteBasisNPoints cutoff energies.

Note

This value is only used if FINITE_BASIS_CORR : 2.

Trait Implementations

impl Clone for FiniteBasisSpacing

fn clone(&self) -> FiniteBasisSpacing

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for FiniteBasisSpacing

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

Formats the value using the given formatter.

impl Default for FiniteBasisSpacing

fn default() -> FiniteBasisSpacing

Returns the “default value” for a type.

impl<'de> Deserialize<'de> for FiniteBasisSpacing

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Display for FiniteBasisSpacing

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

Formats the value using the given formatter.

impl From<f64> for FiniteBasisSpacing

fn from(value: f64) -> FiniteBasisSpacing

Converts to this type from the input type.

impl KeywordDisplay for FiniteBasisSpacing

fn field(&self) -> String

fn output(&self) -> String

impl PartialEq for FiniteBasisSpacing

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

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

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 FiniteBasisSpacing

impl StructuralPartialEq for FiniteBasisSpacing