Struct GeomModulusEst 

pub struct GeomModulusEst { /* private fields */ }

This keyword provides an estimate of the bulk modulus of the system. It is used to initialize the Hessian for BFGS geometry optimization with cell relaxation.

Default

500.0 GPa

Example

GEOM_MODULUS_EST : 125.4 GPa

Trait Implementations

impl Clone for GeomModulusEst

fn clone(&self) -> GeomModulusEst

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for GeomModulusEst

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

Formats the value using the given formatter.

impl Default for GeomModulusEst

fn default() -> GeomModulusEst

Returns the “default value” for a type.

impl<'de> Deserialize<'de> for GeomModulusEst

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Display for GeomModulusEst

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

Formats the value using the given formatter.

impl From<f64> for GeomModulusEst

fn from(value: f64) -> GeomModulusEst

Converts to this type from the input type.

impl KeywordDisplay for GeomModulusEst

fn field(&self) -> String

fn output(&self) -> String

impl PartialEq for GeomModulusEst

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

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

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 GeomModulusEst

impl StructuralPartialEq for GeomModulusEst