LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
[lammps-users] About some discrepancy in the equations in lammps docs
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[lammps-users] About some discrepancy in the equations in lammps docs


From: "dry6211@...24..." <dry6211@...24...>
Date: Fri, 23 Jun 2017 19:45:27 +0900

Dear Lammps users,

Recently I just found that the equations describing the pair_style potentials seem to have some discrepancies. For example, in the pair_style lj/long/coul/long command, the description says E=Cq^2/(epsilon*r) is used to calculate coulombic potential. This is fine. However, in pair_style lj/cut/dipole/cut, the equation becomes E=q^2/r, and the right side apparently does not have energy unit (which is also the case for the equation to calculate dipole interaction). This is very confusing, and I don't know how to set my charge and dipole parameters. Can anyone help me understand it?

Thank you.

Best,
Ruoyu Dong