Hello lammps users,
I am trying to use Fenell summation for electrostatic interactions.
I am using the command as follows.
pair_style hybrid lj/cut/coul/dsf 0.1 10
So this doesn’t work. But the manual says
*lj/cut/coul/dsf* args = alpha cutoff (cutoff2) alpha = damping parameter (inverse distance units) cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units) cutoff2 = global cutoff for Coulombic (distance units)
However the following works
pair_style hybrid lj/cut/coul/dsf 0.1 10 10
In the code shouldn’t the following be set to 2 ?
if (narg != 3) error->all(FLERR,“Illegal pair_style command”);
Please check the above. If the mistake is on my part I will recheck again.