extxyz 0.1.0

A parser for extxyz format
Documentation

Read large trajectory file in xyz/extxyz format

Example

use extxyz::*;

let xyzfile = "large-trajectory.xyz";
let frames = read_xyz_frames(xyzfile, (2270..).step_by(2))?;
for frame in frames {
let atoms = RawAtoms::parse_from(&frame)?;
dbg!(atoms);
}