Hi Everybody,
We are currently refactoring the USER-REAXC package ( https://github.com/lammps/lammps/pull/2708 )
to better conform with our programming conventions and ways how to interface
packages to LAMMPS. While reviewing the code we looked at the facilities to
write out trajectories in a “native” trajectory format (and controlled by the control file).
This seems redundant functionality and we also noticed some inconsistencies
when running in parallel that do not happen with the LAMMPS dump output.
So please let us know immediately if there are any tools around that necessarily require this “native” trajectory format and cannot be made to work with regular LAMMPS dump files.
Otherwise we’ll be removing this functionality soon.
Thanks in advance,
Axel.