Struct LammpsLogHandler 

pub struct LammpsLogHandler { /* private fields */ }

LAMMPS-style screen log for packing runs.

Most users should enable this through Molpack::with_lammps_output or Molpack::with_log_level instead of attaching the handler manually.

Implementations

impl LammpsLogHandler

pub fn new( level: MolpackLogLevel, every: usize, tolerance: F, precision: F, seed: u64, max_loops: usize, ntypes: usize, periodic_box: Option<([F; 3], [F; 3], [bool; 3])>, ) -> Self

Trait Implementations

impl Handler for LammpsLogHandler

fn on_start(&mut self, ntotat: usize, ntotmol: usize)

Called immediately at the start of pack, before any computation. Use this for immediate user feedback.

fn on_initialized(&mut self, sys: &PackContext)

Called once after initialization completes, with valid xcart positions. Use this to write the initial conformation (e.g. XYZHandler).

fn on_phase_start(&mut self, info: &PhaseInfo)

Called at the start of each packing phase (per-type and all-types). Allows stateful handlers to reset between phases.

fn on_step(&mut self, info: &StepInfo, _sys: &PackContext)

Called after each outer optimization loop iteration.

fn on_phase_end(&mut self, info: &PhaseInfo, report: &PhaseReport)

Called at the end of each packing phase, with a summary report.

fn on_finish(&mut self, sys: &PackContext)

Called once after the packing loop finishes (convergence or max loops).

fn should_stop(&self) -> bool

Return true to request early termination of the packing loop.

fn on_inner_iter(&mut self, _iter: u32, _f: F, _sys: &PackContext)

Called after each inner GENCAN iteration (more granular than on_step).