Struct GpuMdParams

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pub struct GpuMdParams {
    pub epsilon: f32,
    pub sigma: f32,
    pub cutoff: f32,
    pub box_size: [f32; 3],
    pub n_atoms: usize,
}

Expand description

Simulation parameters for the GPU MD solver.

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§epsilon: f32

Lennard-Jones well depth ε (kJ/mol).

§sigma: f32

Lennard-Jones radius σ (Å).

§cutoff: f32

Interaction cutoff distance (Å).

§box_size: [f32; 3]

Periodic simulation box dimensions [Lx, Ly, Lz] in Å.

§n_atoms: usize

Number of atoms.

Trait Implementations§

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impl Clone for GpuMdParams

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fn clone(&self) -> GpuMdParams

Returns a duplicate of the value. Read more

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fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source. Read more

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impl Debug for GpuMdParams

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fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter. Read more

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impl PartialEq for GpuMdParams

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fn eq(&self, other: &GpuMdParams) -> bool

Tests for self and other values to be equal, and is used by ==.

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fn ne(&self, other: &Rhs) -> bool

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

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impl Copy for GpuMdParams

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impl StructuralPartialEq for GpuMdParams

Auto Trait Implementations§

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impl UnwindSafe for GpuMdParams

Blanket Implementations§

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impl<T> Any for T
where T: 'static + ?Sized,

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fn type_id(&self) -> TypeId

Gets the TypeId of self. Read more

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impl<T> Borrow<T> for T
where T: ?Sized,

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fn borrow(&self) -> &T

Immutably borrows from an owned value. Read more

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impl<T> BorrowMut<T> for T
where T: ?Sized,

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fn borrow_mut(&mut self) -> &mut T

Mutably borrows from an owned value. Read more

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impl<T> CloneToUninit for T
where T: Clone,

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unsafe fn clone_to_uninit(&self, dest: *mut u8)

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

Performs copy-assignment from self to dest. Read more

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impl<T> From<T> for T

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fn from(t: T) -> T

Returns the argument unchanged.

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impl<T, U> Into for T
where U: From<T>,

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fn into(self) -> U

Calls U::from(self).

That is, this conversion is whatever the implementation of From<T> for U chooses to do.

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impl<T> IntoEither for T

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fn into_either(self, into_left: bool) -> Either<Self, Self>

Converts self into a Left variant of Either<Self, Self> if into_left is true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more

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fn into_either_with<F>(self, into_left: F) -> Either<Self, Self>
where F: FnOnce(&Self) -> bool,

Converts self into a Left variant of Either<Self, Self> if into_left(&self) returns true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more

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