Read large trajectory file in xyz/extxyz format
Example
use *;
let xyzfile = "large-trajectory.xyz";
let frames = read_xyz_frames?;
for frame in frames
Read large trajectory file in xyz/extxyz format
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);
}