Purpose:
Convert LAMMPS snapshots to AtomEye CFG format.
Description:
The cfg tool converts atom snapshots in a LAMMPS dump or data file to the CFG format used by the AtomEye visualization tool.
The cfg 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 CFG format and write them out. Optionally, a file prefix for the CFG output files can also be specified. A ".cfg" suffix will be appended to all output files.
If your atom snapshots are not sorted by atom ID (e.g. because they were written out by a parallel LAMMPS run), then you may want to sort them before converting them to CFG files with this tool. This can be done by "d = dump("tmp.dump"); d.sort()". This is because AtomEye does not use atom IDs directly but infers an ID by the order of atoms as they appear in the CFG file.
Usage:
c = cfg(d) d = object containing atom coords (dump, data)
c.one() write all snapshots to tmp.cfg
c.one("new") write all snapshots to new.cfg
c.many() write snapshots to tmp0000.cfg, tmp0001.cfg, etc
c.many("new") write snapshots to new0000.cfg, new0001.cfg, etc
c.single(N) write snapshot for timestep N to tmp.cfg
c.single(N,"file") write snapshot for timestep N to file.cfg
Related tools:
Prerequisites: none