pub struct CellList {
pub cutoff: f64,
/* private fields */
}Expand description
Spatial cell-list for fast cutoff-radius neighbor search.
Fields§
§cutoff: f64Cutoff radius.
Implementations§
Source§impl CellList
impl CellList
Sourcepub fn new(positions: &[[f64; 3]], cutoff: f64) -> Self
pub fn new(positions: &[[f64; 3]], cutoff: f64) -> Self
Build a cell list from atom positions.
positions is a slice of [x, y, z] arrays.
Sourcepub fn find_neighbors(&self, positions: &[[f64; 3]]) -> Vec<NeighborPair>
pub fn find_neighbors(&self, positions: &[[f64; 3]]) -> Vec<NeighborPair>
Find all neighbor pairs within the cutoff radius.
Returns pairs with i < j to avoid duplicates.
Auto Trait Implementations§
impl Freeze for CellList
impl RefUnwindSafe for CellList
impl Send for CellList
impl Sync for CellList
impl Unpin for CellList
impl UnsafeUnpin for CellList
impl UnwindSafe for CellList
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