Hi
I have a potential which have the form as
Have you looked through the list of available pair styles?
https://docs.lammps.org/Commands_pair.html
Each pair style usually comes with a display of the potential function. It should not be difficult to find one that matches your requirements.
Same problem, same strategy. Check out the atom style documentation and - if necessary - what the pair (and possibly other styles) require.
So I was using using buck/coul/cut. In the pair_coeff I gave values for B, rho and C. Here the charges of each atoms are not given. But I have also created a data file, where atom positions and charges are given. I am reading the data file and also using atom_style = charge. Is it correct?
If you have already done that, why don’t you say so in your original post?
Have you read the forum guidelines (Please Read This First: Guidelines and Suggestions for posting LAMMPS questions)? They explain how important it is to provide this kind of information (and then some) to get meaningful help from the people here.
Does it give the expected results?
