reax example

LAMMPS LAMMPS Mailing List Mirror
#1

Hi,
An example exists in bench/POTENTIALS which is named as in.reax
That input file needs ffield.reax which is present in the folder and data.reax which is not present. Where can I find that input file?
If I have to prepare that file myself, please let me know the steps.

Regards,
Mahmood

#2

Hi,
An example exists in bench/POTENTIALS which is named as in.reax
That input file needs ffield.reax which is present in the folder and
data.reax which is not present. Where can I find that input file?

please have a look at: http://lammps.sandia.gov/bench.html#potentials