Hi,
I am trying to use B C H and Ar in a structure. For BCH I want to use reax/c pair style and for Ar I want to use lennard jones potential. Is it possible to use them together by hybrid pair style in lammps effectively.
I have tried the following lines in my script
“
pair_style hybrid reax/c lmp_control lj/cut 11.0
pair_coeff * * ffield.reax.hcb B C H
##lj
pair_coeff 1 4 lj/cut 0.1254 3.4
pair_coeff 2 4 lj/cut 0.1254 3.4
pair_coeff 3 4 lj/cut 0.1254 3.4
pair_coeff 4 4 lj/cut 0.23983 3.4
”
And received the following error message.
ERROR: Pair coeff for hybrid has invalid style (…/pair_hybrid.cpp:414)
Last command: pair_coeff * * ffield.reax.hcb B C H
I have tried to use hybrid/overlay command but produced similar error.
Please clarify.
Thanks and regards,
-Nirmal
Hi,
I am trying to use B C H and Ar in a structure. For BCH I want to use reax/c pair style and for Ar I want to use lennard jones potential. Is it possible to use them together by hybrid pair style in lammps effectively.
I have tried the following lines in my script
“
pair_style hybrid reax/c lmp_control lj/cut 11.0
pair_coeff * * ffield.reax.hcb B C H
##lj
pair_coeff 1 4 lj/cut 0.1254 3.4
pair_coeff 2 4 lj/cut 0.1254 3.4
pair_coeff 3 4 lj/cut 0.1254 3.4
pair_coeff 4 4 lj/cut 0.23983 3.4
”
And received the following error message.
ERROR: Pair coeff for hybrid has invalid style (…/pair_hybrid.cpp:414)
Last command: pair_coeff * * ffield.reax.hcb B C H
I have tried to use hybrid/overlay command but produced similar error.
Please clarify.
Thanks and regards,
-Nirmal