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babak sinichi

Tabulting potencial LAMMPS


I have a potential for a molecule which depends on (r, theta, phi), also at different part cell has different variable, is it possible to tabulate such potential in LAMMPS?

Thanks for your help.

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    Benjamin P Haley

    I have no idea if that is possible.  I would ask the LAMMPS developers.  We don't work on the LAMMPS simulator itself; we only maintain this tool for uploading input files and running LAMMPS on nanoHUB.  The details of the LAMMPS inputs are not in our control.

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