CARBON NANOTUBE SIMULATION

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1

I am trying to analyze the swcnt(5,5) data file given in your site using the following input script . It gives me the error
“ERROR on proc 0: Must define pair_style before Pair Coeffs (…/read_data.cpp:1183)”

can you please explain me what i have to add in the input script. I am just a beginner.

input script*
units metal
atom_style full

boundary p p p
newton on

dimension 3

read_data data.swcnt-5,5

pair_style airebo 3.0
pair_coeff * * CH.airebo C

2

It means that your data file contains pair coefficients. You need to move the pair_style command to before the read_data command, or remove the pair coefficients from the data file.