[−]Struct lumol::sys::compute::StressAtTemperature
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.
Fields
temperature: f64Temperature for the stress tensor computation
Trait Implementations
impl Compute for StressAtTemperature
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, [src]
T: 'static + ?Sized,
impl<T> Borrow<T> for T where
T: ?Sized, [src]
T: ?Sized,
impl<T> BorrowMut<T> for T where
T: ?Sized, [src]
T: ?Sized,
pub fn borrow_mut(&mut self) -> &mut T[src]
impl<T> From<T> for T[src]
impl<T, U> Into<U> for T where
U: From<T>, [src]
U: From<T>,
impl<T> Pointable for T
pub const ALIGN: usize
type Init = T
The type for initializers.
pub unsafe fn init(init: <T as Pointable>::Init) -> usize
pub unsafe fn deref<'a>(ptr: usize) -> &'a T
pub unsafe fn deref_mut<'a>(ptr: usize) -> &'a mut T
pub unsafe fn drop(ptr: usize)
impl<T, U> TryFrom<U> for T where
U: Into<T>, [src]
U: Into<T>,
type Error = Infallible
The type returned in the event of a conversion error.
pub fn try_from(value: U) -> Result<T, <T as TryFrom<U>>::Error>[src]
impl<T, U> TryInto<U> for T where
U: TryFrom<T>, [src]
U: TryFrom<T>,
type Error = <U as TryFrom<T>>::Error
The type returned in the event of a conversion error.
pub fn try_into(self) -> Result<U, <U as TryFrom<T>>::Error>[src]
impl<V, T> VZip<V> for T where
V: MultiLane<T>,
V: MultiLane<T>,