[]Struct lumol::energy::SharedEwald

pub struct SharedEwald(_);

Thread-sade wrapper around Ewald implementing CoulombicPotential.

This wrapper allow to share a Ewald solver between threads (make it `Send

Methods

impl SharedEwald

Wrap ewald in a thread-safe structure.

Example

let ewald = SharedEwald::new(Ewald::new(12.5, 10, None));
let boxed: Box<CoulombicPotential> = Box::new(ewald);

Trait Implementations

impl CoulombicPotential for SharedEwald

Set the pair restriction scheme to use to the given restriction. All future call to GlobalPotential::energy, GlobalPotential::force or GlobalPotential::virial should use this restriction. Read more

impl GlobalCache for SharedEwald

Get the cost of moving a rigid molecule in the system. Read more

Update the cache as needed after a call to move_molecule_cost. Read more

impl GlobalPotential for SharedEwald

Return the cut off radius.

Compute the energetic contribution of this potential

Compute the force contribution of this potential. This function should return a vector containing the force acting on each particle in the configuration. Read more

Compute the total virial contribution of this potential, using the atomic virial definition Read more

Compute the total virial contribution of this potential, using the molecular virial definition. This default to atomic_virial. Read more

impl Clone for SharedEwald

Returns a copy of the value. Read more

Performs copy-assignment from source. Read more

Auto Trait Implementations

impl Send for SharedEwald

impl Sync for SharedEwald

Blanket Implementations

impl<T> ToOwned for T where
    T: Clone
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Creates owned data from borrowed data, usually by cloning. Read more

🔬 This is a nightly-only experimental API. (toowned_clone_into)

recently added

Uses borrowed data to replace owned data, usually by cloning. Read more

impl<T> From for T
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Performs the conversion.

impl<T, U> Into for T where
    U: From<T>, 
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Performs the conversion.

impl<T, U> TryFrom for T where
    T: From<U>, 
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🔬 This is a nightly-only experimental API. (try_from)

The type returned in the event of a conversion error.

🔬 This is a nightly-only experimental API. (try_from)

Performs the conversion.

impl<T> Borrow for T where
    T: ?Sized
[src]

Important traits for &'a mut R

Immutably borrows from an owned value. Read more

impl<T, U> TryInto for T where
    U: TryFrom<T>, 
[src]

🔬 This is a nightly-only experimental API. (try_from)

The type returned in the event of a conversion error.

🔬 This is a nightly-only experimental API. (try_from)

Performs the conversion.

impl<T> BorrowMut for T where
    T: ?Sized
[src]

Important traits for &'a mut R

Mutably borrows from an owned value. Read more

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

🔬 This is a nightly-only experimental API. (get_type_id)

this method will likely be replaced by an associated static

Gets the TypeId of self. Read more