pair_style dipole/cut command

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1

Dear All

In the LAMMPS manual page for pair_style dipole/cut command it says that the relations used are from the paper 'Toukmaji, Sagui, Board, and Darden, J Chem Phys, 113, 10913 (2000)**’ . in the present paper the authors have used a polarisable water model for validating their algorithm. i would like to know whether
polarisable models can be simulated in LAMMPS using the pair_style dipole/cut command.

2

Dear All

In the LAMMPS manual page for pair_style dipole/cut command it says that the relations used are from the paper 'Toukmaji, Sagui, Board, and Darden, J Chem Phys, 113, 10913 (2000)**’ . in the present paper the authors have used a polarisable water model for validating their algorithm. i would like to know whether
polarisable models can be simulated in LAMMPS using the pair_style dipole/cut command.

No and that is not what the paper says either. Axel.

3

i should add that you *can* simulate polarizable models
with LAMMPS, if you use the fix qeq/reax command.

http://lammps.sandia.gov/doc/fix_qeq_reax.html

axel.

4

Thank you very much for the information…