[−]Struct lumol::sys::compute::PressureAtTemperature
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.
Fields
temperature: f64Temperature for the pressure computation
Trait Implementations
impl Compute for PressureAtTemperature
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, [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>,