pair_style hybrid

Hi there,

in pair_style hybrid there is an example about 2 types of atom, Si and C.

It has been written such as bellow:

pair_style hybrid lj/cut 2.5 tersoff tersoff
pair_coeff * * tersoff 1 Si.tersoff Si NULL
pair_coeff * * tersoff 2 C.tersoff NULL C
pair_coeff 1 2 lj/cut 1.0 1.5

Why dont we use pair_coeff such this:

pair_coeff 1 1 tersoff 1 Si.tersoff Si NULL
pair_coeff 2 2 tersoff 2 C.tersoff NULL C
pair_coeff 1 2 lj/cut 1.0 1.5

Thanks in advance

Nader

Hi there,

in pair_style hybrid there is an example about 2 types of atom, Si and C.
It has been written such as bellow:

pair_style hybrid lj/cut 2.5 tersoff tersoff
pair_coeff * * tersoff 1 Si.tersoff Si NULL
pair_coeff * * tersoff 2 C.tersoff NULL C
pair_coeff 1 2 lj/cut 1.0 1.5

Why dont we use pair_coeff such this:

pair_coeff 1 1 tersoff 1 Si.tersoff Si NULL
pair_coeff 2 2 tersoff 2 C.tersoff NULL C
pair_coeff 1 2 lj/cut 1.0 1.5