Struct ExponentialPoint 

pub struct ExponentialPoint { /* private fields */ }

Drive a species’ distance to a centre, ξ = ‖x − c‖, to an exponential distribution ∝ e^(−ξ/λ) — densest at the centre and decaying radially with decay length λ (a radial atmosphere around center).

Implementations

impl ExponentialPoint

pub fn new(center: [F; 3], strength: F, lambda: F) -> Self

• center — the point c the decay is measured from.
• strength — overall penalty multiplier.
• lambda — radial decay length (λ > 0).

Panics

If lambda <= 0.

Trait Implementations

impl Clone for ExponentialPoint

fn clone(&self) -> ExponentialPoint

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for ExponentialPoint

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

Formats the value using the given formatter.

impl Restraint for ExponentialPoint

fn f(&self, coords: &[[F; 3]], _scale: F, _scale2: F) -> F

Penalty value for the group’s current configuration.

fn fg( &self, coords: &[[F; 3]], _scale: F, _scale2: F, grads: &mut [[F; 3]], ) -> F

Fused value + gradient. Accumulates ∂L/∂coords[i] INTO grads[i] with +=; returns the same value f would. grads.len() == coords.len().

fn name(&self) -> &'static str

Human-readable identifier.

fn is_parallel_safe(&self) -> bool

If false, the scheduler serializes this restraint (Python-backed collective restraints MUST return false).