[lammps-users] The definition of pair_coeff

Dear LAMMPS users,

I encountered a problem when I define a hybrid/overlay pair_style for 10 types of atoms in my system, including coul/long, buck, lj/cut and lj/class2. I defined the pair_coeff as follows,

pair_style hybrid/overlay coul/long 9.0 buck 9.0 lj/cut 9.0 lj/class2 9.0
pair_coeff 18 18 coul/long
pair_coeff 1 24 buck 19.0 1.3351 0.0 9.0
pair_coeff 1 8 buck 5747.0 0.2930 0.0 9.0
pair_coeff 9 9 buck 31958524.24 5.115 784.578 9.0
pair_coeff 6 9 lj/cut 0.2137 3.4291 9.0
pair_coeff 9 10 lj/cut 0.160 3.910 9.0
pair_coeff 10 10 lj/cut 0.160 3.910 9.0
pair_coeff 1 5
7 buck 53884.0 0.2995 0.0 9.0
pair_coeff 1 5*7 lj/class2 206.4339 1.2069 9.0

Why I always got the error message " All pair coeffs are not set". But in the definition, I did define all the pair coeffs for each pair.

Can anyone tell me what’s my problem? Your help would be most appreciated.

Best
Yajie

Dear Yajie,

I don't see potentials defined for types 1-8 with type 10. I
don't see potentials defined for 1-5 and 7&8 with type 9.
Could that be your problem?

Joanne Budzien