Struct ElecConvergenceWin 

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

This keyword determines the size of the convergence window during a electronic minimization run. The total energy or eigenvalue must lie within ELEC_ENERGY_TOL or ELEC_EIGENVALUE_TOL respectively, for the last ELEC_CONVERGENCE_WIN iterations for the convergence criteria to be met.

Note

The value of ELEC_CONVERGENCE_WIN must be greater than or equal to 2.

Default

3

Example

ELEC_CONVERGENCE_WIN : 4

Implementations

impl ElecConvergenceWin

pub fn value(&self) -> u64

Trait Implementations

impl Clone for ElecConvergenceWin

fn clone(&self) -> ElecConvergenceWin

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for ElecConvergenceWin

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

Formats the value using the given formatter.

impl Default for ElecConvergenceWin

fn default() -> ElecConvergenceWin

Returns the “default value” for a type.

impl<'de> Deserialize<'de> for ElecConvergenceWin

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Display for ElecConvergenceWin

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

Formats the value using the given formatter.

impl From<u64> for ElecConvergenceWin

fn from(value: u64) -> Self

Converts to this type from the input type.

impl KeywordDisplay for ElecConvergenceWin

fn field(&self) -> String

fn output(&self) -> String

impl Ord for ElecConvergenceWin

fn cmp(&self, other: &ElecConvergenceWin) -> 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 ElecConvergenceWin

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

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

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 ElecConvergenceWin

impl Eq for ElecConvergenceWin

impl StructuralPartialEq for ElecConvergenceWin