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[lammps-users] pair_style hybrid
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[lammps-users] pair_style hybrid


From: Nader <nader20@...24...>
Date: Sun, 29 Oct 2017 18:36:05 +0330

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