Struct GpuMdBuffer 

pub struct GpuMdBuffer {
    pub atoms: Vec<GpuMdAtom>,
    pub step: usize,
}

GPU-side buffer holding the full MD system state.

Fields

atoms: Vec<GpuMdAtom>

Per-atom data.

step: usize

Current simulation step counter.

Implementations

impl GpuMdBuffer

pub fn new(n: usize) -> Self

Allocate a new buffer for n atoms, all at origin with zero velocity.

pub fn len(&self) -> usize

Number of atoms in this buffer.

pub fn is_empty(&self) -> bool

Returns true if the buffer is empty.

Trait Implementations

impl Clone for GpuMdBuffer

fn clone(&self) -> GpuMdBuffer

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for GpuMdBuffer

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

Formats the value using the given formatter.