Thanks Mike.
To make sure I’ve gotten your meaning, there is an example follow:
GB(sigma_ee/sigma_ss,epsilon_ss/epsilon_ee,upsilon,mu) (4.4,20,1,1)2
shape 1 1 1 4.4
pair_style gayberne 1.0 1.0 1.0 5.5
pair_coeff 1 1 2 1 1 1 0.05 0 0 0 5.5
Am I right with it? It gives me the perfect potential curves and the same to issued articles. Maybe include the figure about these potentials into the manual will be helpful for other ellipse users.
Thanks again for your kindly help.
