[]Struct lumol::sys::compute::PressureAtTemperature

pub struct PressureAtTemperature {
    pub temperature: f64,

Compute the pressure of the system using the virial definition, at a given temperature.

$$ p = \frac{N_f k_B T}{3 V} + \frac{Tr(\underline{W})}{3V} $$

where $N_f$ is the number of degrees of freedom in the system, $k_B$ is the Boltzman constant, $T$ the temperature, $V$ the simulation volume, $Tr$ is the matricial trace, and $\underline{W}$ the Virial.


temperature: f64

Temperature for the pressure computation

Trait Implementations

impl Compute for PressureAtTemperature

type Output = f64

The data type of the property

Auto Trait Implementations

impl RefUnwindSafe for PressureAtTemperature

impl Send for PressureAtTemperature

impl Sync for PressureAtTemperature

impl Unpin for PressureAtTemperature

impl UnwindSafe for PressureAtTemperature

Blanket Implementations

impl<T> Any for T where
    T: 'static + ?Sized

impl<T> Borrow<T> for T where
    T: ?Sized

impl<T> BorrowMut<T> for T where
    T: ?Sized

impl<T> From<T> for T[src]

impl<T, U> Into<U> for T where
    U: From<T>, 

impl<T> Pointable for T

type Init = T

The type for initializers.

impl<T, U> TryFrom<U> for T where
    U: Into<T>, 

type Error = Infallible

The type returned in the event of a conversion error.

impl<T, U> TryInto<U> for T where
    U: TryFrom<T>, 

type Error = <U as TryFrom<T>>::Error

The type returned in the event of a conversion error.

impl<V, T> VZip<V> for T where
    V: MultiLane<T>,