Hello,
I have a general question regarding MLFF in vasp. I fitted force field using vasp 6.4.1v, and I was just wondering if there's a way to transfer the force field to other popular classic method softwares such as lammps ? I saw the vaspwiki, and the force field can be used using tag MLFF = run in VASP. I was wondering if this force field is limited to VASP program yet or if there's a way for the transferability.
Thank you a lot in advance!
General question about MLFF
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ferenc_karsai
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Re: General question about MLFF
Unfortunately we don't have an interface for LAMMPS yet, but we are working on it. LAMMPS uses an entirely different way of parallelization (and neighbor lists) so we have to change a lot to make it work. Due to this I can't give you an exact date when it will be finished, but as soon as it is ready it will be announced on the VASP page.