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LammpsDataReader

oxiphysics_io::lammps::types

Struct LammpsDataReader 

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pub struct LammpsDataReader { /* private fields */ }
Expand description

Reader for the LAMMPS data-file format.

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impl LammpsDataReader

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pub fn from_str(data: &str) -> Result<Self>

Parse a LAMMPS data file from a string.

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pub fn positions(&self) -> &[[f64; 3]]

Return parsed positions.

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pub fn masses(&self) -> &[f64]

Return per-atom masses.

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pub fn types(&self) -> &[u32]

Return per-atom type IDs (1-indexed).

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pub fn box_bounds(&self) -> ([f64; 3], [f64; 3])

Return the simulation box bounds as (lo, hi).

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