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Important Matters
Important Matters
7:46 AM
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Q: How to add atom attribute molecule for each layer in LAMMPS?

Vladislav GladkikhI 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 87.033...

molecular-dynamics lammps software-input-file-request
 

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