Dear All users
I want to minimize my system but i take this error, There are three types of atom in my system and my pair_style is buck
I can’t view that file- the site says it’s private and only for the owner. The error means that you haven’t set pair coefficients for every type of interaction in your system. You say you have three types, so you should have pair_coeff statements covering interactions between the following types: 1-1, 1-2, 1-3, 2-2, 2-3, 3-3.
Niall
Dear All users
Dear All users
I want to minimize my system but i take this error, There are three types of atom in my system and my pair_style is buck.
But i use : pair_modify geometric , I have to define other interactions such as 1-2 , 1-3 , 2-3
Apparently, Imperial College has blocked access to trainbit.com, so I still can't see your input file (sorry). However, the manual page for pair style buck says that it doesn't support mixing (look at the bottom,http://lammps.sandia.gov/doc/pair_buck.html, "These pair styles do not support mixing. Thus, coefficients for all I,J pairs must be specified explicitly.").
Dear Jackson
Thank you so much for your reply,
That’s right, Thank you,