Dear Developers and Users
I’m working on a paper in which LJ parameters are provided as A, B in compliance with the expression: E=A/r12 - B/r6.
However, for an atom type, the B parameter is zero!
I’ve already searched the manual and I found that all lj pair styles are in terms of epsilon and sigma. However, in my case, I cannot derive any corresponding parameters having zero B.
Does anybody know a proper action to do? I don’t find suitable pair_style Is it my fault or the shortcoming of lammps?
Besides, in case of exiting another pair style, it would be truly problematic since hybrid potential could not be handled by GPU. Why developers did not make formulation based on A and B parameters.
Axel or Steve may have some explanation.