Dear Lammps Users,
Lammps Version: September 2021
I would like to put the double well potential inside the simulation box and a dimer in one of the minima
and visualise the same using Ovito.This potential acts along the x direction of the dimer. The input
for dimer works properly.
However, the input for double well potential gives me an error (can be done by enabling the python package too),and
I read the documentation and the file1.txt has been stored as a numerical value. But the iteration fails with next f.
After storing the data in the form of string with next(f) also fails.
variable f file file1.txt
variable bheight equal 9.0
variable min1 equal 0.45
variable min2 equal 0.075
variable deriv equal (v_bheight/v_min2^4)((v_f-v_min1/2)^2-v_min1^2)^2
variable deriv1 equal (-v_bheight/v_min2^4)(4*(v_f-(v_min1/2))-4*(v_min2^2)*(v_f-(v_min1/2)))
next f
From the mailing list, I found a reply that I need to find the derivative of the potential with fix add force command
to add the potential in the simulation box. As the iteration fails I am not able to proceed.
Kindly help me and sorry for raising the simple query.
Regards
Vanitha
file1.txt (155 Bytes)