[lammps-users] wall_lj93

Dear users

As far as I have seen by a look at fix_wall_lj93.cpp, there are no Lorentz Berthelot mixing rules for epsilon and sigma applied to calculate the forces on the different atoms exerted by the wall. Always the same parameters for epsilon and sigma, given by the fix wall command, are taken for all atom-pairs. Am I right, or did I miss something?

Thank you and best regards


You're correct. Args could be added to the fix to have atom type specific
sigmas,epsilons, but someone would have to do that.