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How to add atom attribute molecule for each layer in LAMMPS?

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I want to model several layers of hBN in LAMMPS.

First, for two layers, I created a lammps data file from vasp POSCAR using atomsk. It is like this:

 # hBN_bilayer        3200  atoms           2  atom types      0.000000000000      50.248565674000  xlo xhi      0.000000000000      87.033068756000  ylo yhi      0.000000000000      24.853632450000  zlo zhiMasses            1   10.81000000             # B            2   14.00700000             # NAtoms # atomic         1    2        0.000000000000       1.450551189000       5.780448675000         2    2        1.256214141900       3.626377907900       5.780448675000         3    1        0.000000000000       1.450551189000       1.926816225000...

I want to use extep potential inside each layer and ilp/graphene/hbn between layers.

pair_style hybrid/overlay extep ilp/graphene/hbn 16.0 1pair_coeff * * extep BN.extep B Npair_coeff * * ilp/graphene/hbn BNCH.ILP B N

But when I run this, it says

ERROR: Pair style ilp/graphene/hbn requires atom attribute molecule

How do I specify this attribute for different layers?

I tried to read the manual page https://docs.lammps.org/pair_ilp_graphene_hbn.html but I could not get how to do it.


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