Dear Lammps users and developers,
I have noticed that the charge equilibration needed by the ReaxFF
potential is implemented independently of the reaxff fortran library.
I was wondering if someone has tried implementing
a different charge equilibration method than EEM, such as QTPIE and
would be willing to share some thoughts on this. I also know that is a
"coming attraction" of Lammps, so perhaps developers can tell more