Dear,
when I use pair_style hybrid command, I find a incorrect command writing form
Incorrect form:
pair_style hybrid morse 9.0 comb
pair_coeff 1 1 morse 0.17733 2.0446 3.7598
pair_coeff 1 2 morse 45.9970 2.6518 1.628
pair_coeff 2 2 morse 0.5363 1.3731 3.791
pair_coeff * * …/potentials/ffield.comb Si O
I want to get your help.And what should I do to correct it？
Looking forward to your reply.
Hi
with my limited experience in LAMMPS, I think you are trying to assign two different types of forcefields (morse and comb) in the same pair of atom types. The use of asterisks in pair_coeff comb means that the comb force field is assigned to all pair of atom types including types 1 and 1, types 1 and 2, types 2 and 2.
From a technical point of view, you should use pair_style hybrid/overlay instead of pair_style hybrid to assign two or more types of force fields in the same pair of atom types.
Regards
Evangelos
Στις Δευ, 15 Απρ 2019 στις 3:56 π.μ., ο/η 不想学数学的死肥宅💢 <1585807421@…12…1204…> έγραψε: