Dear whom read my email:
When I used Lammps reduced unit, how should I set the value of 4piepsilon in the Coulomb potential?
to 1?
Since I’m a newbie in LAMMPS any kind of suggestions would be much appreciated.
Dear whom read my email:
When I used Lammps reduced unit, how should I set the value of 4piepsilon in the Coulomb potential?
to 1?
Since I’m a newbie in LAMMPS any kind of suggestions would be much appreciated.
For LJ units there is no Coulomb prefactor. Typical charge values
on a particle are +1 or -1 and the energy is simple QiQj/r.
If you are following a model in a paper, then it should simply
tell you what charge values to assign to each atom (in LJ units).
LAMMPS does the rest internally.
Steve