Purpose:
Convert LAMMPS snapshots to XYZ format.
Description:
The xyz tool converts atom snapshots in a LAMMPS dump or data file to the XYZ format used by various visualization packages.
The xyz constructor takes an object that stores atom snapshots (dump, data) as its first argument. The atom snapshots must have "id", "type", "x", "y", and "z" defined; see the map() methods of those tools.
The one(), many(), and single() methods convert specific snapshots to the XYZ format and write them out. Optionally, a file prefix for the XYZ output files can also be specified. A ".xyz" suffix will be appended to all output files.
Usage:
x = xyz(d) d = object containing atom coords (dump, data)
x.one() write all snapshots to tmp.xyz
x.one("new") write all snapshots to new.xyz
x.many() write snapshots to tmp0000.xyz, tmp0001.xyz, etc
x.many("new") write snapshots to new0000.xyz, new0001.xyz, etc
x.single(N) write snapshot for timestep N to tmp.xyz
x.single(N,"file") write snapshot for timestep N to file.xyz
Related tools:
Prerequisites: none