Adding a double well potential inside simulation box.

Hi all,

I want to add a potential barrier of the form v = v_o cos(2\pi.n.x/L), where V_o is the half of the barrier height and L is the length of the simulation box. How do i do that in lammps?

Thanks in advance

Diljith T

Hi all,
I want to add a potential barrier of the form v = v_o cos(2\pi.n.x/L), where V_o is the half of the barrier height and L is the length of the simulation box. How do i do that in lammps?

you can probably use fix addforce with an atom-style variable to do
this. just need to compute the derivative of the expression with
respect to the x coordinate to get the force from the potential.

axel.

Thanks for the tip!