After reading your suggestion, I deleted an lj/cut, but a new error appeared.“ERROR on proc 0: All pair coeffs are not set”, 1.2.3 are three types of atoms respectively, number 2 is the SW potential of water molecule, and number 1.3 are both C atoms. However, due to different functions, I set two types. Between them and the water molecule is the LJ potential function, and between 1 and 1 and 3 is none.
pair_style hybrid lj/cut 10 sw
pair_coeff 1 1 none
pair_coeff 1 2 lj/cut 0.00544 3.258 10
pair_coeff 2 3 lj/cut 0.00544 3.258 10
pair_coeff 3 3 none
pair_coeff * * sw mW.sw NULL Si NULL
What should I do? How can I change my script to get the result I want