Hello, Is it possible to use "pair_style table" along with Coulombic interactions? Specifically, I want to be able to model a system where the particles carry a charge and in addition, interact via a 9-6 potential. In this, I want the coulombic interactions to be treated using Ewald summation. I was planning to use lammps and feed in the 9-6 part of the interaction via tabular form for this purpose. Thanks for your help, Best, Bala
It definately is possible. However, you will have to write a new pair style, say pair_table_coul_long, that includes the coulombic interactions. You could do that to beg, borrow, and steal from other pair styles that already include coulombic interactions, like pair_lj_cut_coul_long. You would also have to register this new pair style with the kspace front end.
I think you could include the Coulombic interactions in your
tabulation (and the Ewald damping part), assuming atoms
of a certain type have the same charge. Then you
can run pair table with PPPM or Ewald to add the long-range