[]Struct lumol::sys::compute::StressAtTemperature

pub struct StressAtTemperature {
    pub temperature: f64,

Compute the stress tensor of the system from the virial definition, at the given temperature.

$$ \underline{\sigma} = \frac{1}{V} \left(\frac{N_f}{3} k_B T \space \underline{1} + \underline{W} \right) $$

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 stress tensor computation

Trait Implementations

impl Compute for StressAtTemperature

type Output = Matrix3

The data type of the property

Auto Trait Implementations

impl RefUnwindSafe for StressAtTemperature

impl Send for StressAtTemperature

impl Sync for StressAtTemperature

impl Unpin for StressAtTemperature

impl UnwindSafe for StressAtTemperature

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>,