Hi people !
I would like to know: is there a reaxx parameterization for
fluorine implemented in lammps ?
If there isn't, is it possible to me to construct this parameterization
file ? How ?
Thank you very much.
Ricardo
Hi people !
I would like to know: is there a reaxx parameterization for
fluorine implemented in lammps ?
If there isn't, is it possible to me to construct this parameterization
file ? How ?
Thank you very much.
Ricardo
I don't know - maybe Aidan or Adri does. If you can find
a ReaxFF paper in the literature for F, then you could
translate the parameterization into LAMMPS.
Steve