Struct FixedNPW 

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

This keyword determines whether a fixed number of plane waves (fixed size basis : TRUE) or a fixed plane wave cutoff energy (fixed quality basis : FALSE) will be used when doing a variable cell calculation. This setting affects geometry optimization with variable cell parameters and molecular dynamics with NPT or NPH ensembles.

Note

You should turn off finite basis set correction when using a fixed size basis (see FINITE_BASIS_CORR).

Default

FALSE

Example

FIXED_NPW : TRUE

Implementations

impl FixedNPW

pub fn value(&self) -> bool

Trait Implementations

impl Clone for FixedNPW

fn clone(&self) -> FixedNPW

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for FixedNPW

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

Formats the value using the given formatter.

impl Default for FixedNPW

fn default() -> FixedNPW

Returns the “default value” for a type.

impl<'de> Deserialize<'de> for FixedNPW

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Display for FixedNPW

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

Formats the value using the given formatter.

impl From<bool> for FixedNPW

fn from(value: bool) -> Self

Converts to this type from the input type.

impl Hash for FixedNPW

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 FixedNPW

fn field(&self) -> String

fn output(&self) -> String

impl Ord for FixedNPW

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

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

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

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 FixedNPW

impl Eq for FixedNPW

impl StructuralPartialEq for FixedNPW