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Divya Chalise

Pair style selection

I tried to model polyethylene and obtained a lammps data file for it. It has the pair coefficents. However, it does not have a pair style in the lammps data file. I selected dreiding potential in the tool while making the polymer.

Thus, what pair style should I use in that case?

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    Benjamin P Haley

    The pair coeffs are given in the lammps input file (command script) produced by the tool.  The input file runs several relaxations with reduced pair coeffs, so they are specified in that file, not the data file.  

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