Dear All
I’m new on LAMMPS and don’t understand the physical and computational difference of handling long-range electrostatic interactions through lj/cut/coul/cut or lj/cut/coul/long.
both keywords need a cut-off value to be specified in LAMMPS. http://lammps.sandia.gov/doc/pair_lj.html
Why coul/long needs such parameter?
Any hint is welcome.
Dear All
I'm new on LAMMPS and don't understand the physical and computational
difference of handling long-range electrostatic interactions through
lj/cut/coul/cut or lj/cut/coul/long.
both keywords need a cut-off value to be specified in LAMMPS.
LAMMPS Molecular Dynamics Simulator
Why coul/long needs such parameter?
to separate the real space part from the reciprocal space part.
Any hint is welcome.
please take a good MD text book and read up on ewald summation.
what you are asking about is fundamental classical MD knowledge.
axel.