[lammps-users] Question : pair_coeff * * ffield.reax

I want to simulate a system with only Carbon atoms using reaxff with following commands, but the system always reminds me that :

ERROR: Incorrect args for pair coefficients

I am sure I installed ReaxPackage correctly and I could also ran the reax examples given in the folder.

Unless your system has 2 atom types, the pair coeff command format
would be different.


Hi Steve,

I do not understand what you said. Could you tell me how to solve that problem. My systems has only one type of atoms, i.e. Carbon atom,

why I could not use that:

If you have one type of atom, you want ffield.reax 1 (or some other number).
The doc page for pair reax explains this.