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PeriodicImageHandler

oxiphysics_io::trajectory::types

Struct PeriodicImageHandler 

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pub struct PeriodicImageHandler;
Expand description

Handle periodic boundary conditions in trajectory analysis.

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impl PeriodicImageHandler

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pub fn wrap_positions(positions: &mut [[f64; 3]], box_size: [f64; 3])

Wrap positions into the primary box [0, box_size].

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pub fn minimum_image_distance( a: [f64; 3], b: [f64; 3], box_size: [f64; 3], ) -> f64

Compute the minimum image distance between two positions.

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pub fn unwrap_trajectory(frames: &mut [TrajectoryFrame], box_size: [f64; 3])

Unwrap a trajectory to remove periodic jumps.

Adjusts positions so that each atom moves continuously (no jumps across box boundaries).

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