Fancy some examples for dipolar interactions

LAMMPS LAMMPS General Discussion
1

The Ewald_dipole or pppm_dipole is based on the paper of Toukmaji and Sagui in 2000. The example of the paper is water MD simulations. How can i reperform simulations of RPOL or POL water model on lammps? Namely, How can i generate the data file and input file of RPOL or POL water model?

reference: Efficient particle-mesh Ewald based approach to fixed and induced dipolar interactions. Abdulnour Toukmaji; Celeste Sagui; John Board; Tom Darden. J. Chem. Phys. 113, 10913–10927 (2000). Efficient particle-mesh Ewald based approach to fixed and induced dipolar interactions | The Journal of Chemical Physics | AIP Publishing

2

You will likely have to write a little program or script to generate a suitable data file. The format of the file and specifically the details of the Atoms section is documented with the read_data command.

There is an example for a point dipole fluid in the examples/dipole folder of the LAMMPS sources.