Mixed Gaussian potential

LAMMPS LAMMPS General Discussion
1

I have a one particle in box simulation and want to add a gaussian potential to my box. The idea is to add the sum of 5 gaussians with a mean of [-8,-5.5,1,5.5,10] and a variance of [3,1,2.5,1,2] . I am confused about it because the pair_style gauss uses two particle interaction. How do I do it for a just one particle in a box?

2

You have two options:

  • emulate those gaussians with immobile particles that won’t interact with each other
  • realize your gaussian potential through fix addforce, which can apply atom style variables and thus implement position dependent forces and energies
3

Thanks.