Struct IsothermalIsobaric 

pub struct IsothermalIsobaric {
    pub temperature: f64,
    pub pressure: f64,
}

Constant temperature, constant pressure macrostate.

Use IsothermalIsobaric to set both the system temperature and pressure using a thermostat and barostat or Monte Carlo trial moves.

• Temperature is given in units of $[\mathrm{energy}]$: $\mathrm{temperature} = kT$.
• Pressure is given in units of $[\mathrm{energy}] \cdot [\mathrm{length}]^{-D}$ where $D$ is the dimensionality of the system.

Example

use hoomd_simulation::macrostate::Isothermal;

let macrostate = Isothermal { temperature: 1.2 };

Fields

temperature: f64

Kinetic temperature of the system.

pressure: f64

Pressure of the system.

Trait Implementations

impl Clone for IsothermalIsobaric

fn clone(&self) -> IsothermalIsobaric

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for IsothermalIsobaric

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for IsothermalIsobaric

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for IsothermalIsobaric

fn eq(&self, other: &IsothermalIsobaric) -> 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 Pressure for IsothermalIsobaric

fn pressure(&self) -> &f64

The system’s pressure $([\mathrm{energy}] \cdot [\mathrm{length}]^{-D})$.

fn pressure_mut(&mut self) -> &mut f64

The system’s pressure $([\mathrm{energy}] \cdot [\mathrm{length}]^{-D})$.

impl Serialize for IsothermalIsobaric

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl Temperature for IsothermalIsobaric

fn temperature(&self) -> &f64

The system’s temperature $([\mathrm{energy}])$.

fn temperature_mut(&mut self) -> &mut f64

The system’s temperature $([\mathrm{energy}])$.

impl StructuralPartialEq for IsothermalIsobaric