[−]Struct lumol::Buckingham
Buckingham potential.
$$ V(x) = A \exp \left(\frac{\sigma - r}{\rho} \right) - \frac{C}{r^6} $$
where $A$ and $C$ are energetic constants, and $\rho$ and $\sigma$ are length parameters.
Examples
let potential = Buckingham { a: 2.0, c: 1.0, rho: 5.3 }; assert_eq!(potential.energy(2.2), 1.3117360696239022); assert_eq!(potential.force(2.2), 0.2251072178835946);
Fields
a: f64
Exponential term energetic constant
c: f64
1/r^6
term energetic constant
rho: f64
Width of the exponential term length constant
Trait Implementations
impl Clone for Buckingham
pub fn clone(&self) -> Buckingham
fn clone_from(&mut self, source: &Self)
1.0.0[src]
impl Copy for Buckingham
impl FromToml for Buckingham
impl PairPotential for Buckingham
pub fn tail_energy(&self, rc: f64) -> f64
pub fn tail_virial(&self, rc: f64) -> f64
fn virial(&self, r: &Vector3D) -> Matrix3
impl Potential for Buckingham
Auto Trait Implementations
impl RefUnwindSafe for Buckingham
impl Send for Buckingham
impl Sync for Buckingham
impl Unpin for Buckingham
impl UnwindSafe for Buckingham
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<P> Potential for P where
P: 'static + Computation + Clone,
P: 'static + Computation + Clone,
impl<T> ToOwned for T where
T: Clone,
[src]
T: Clone,
type Owned = T
The resulting type after obtaining ownership.
pub fn to_owned(&self) -> T
[src]
pub fn clone_into(&self, target: &mut T)
[src]
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>,