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can the trained ML_FF be used in the third part MD code? such as LAMMPS

Posted: Mon Nov 25, 2024 12:15 pm
by suojiang_zhang1

is it ok? or in the future?


Re: can the trained ML_FF be used in the third part MD code? such as LAMMPS

Posted: Fri Nov 29, 2024 10:06 am
by pedro_melo

Dear suojiang_zhang1,

A VASP/LAMPS interface is currently under testing and we have plans to make it available in a future version of VASP. While I cannot promise that it will be in the next release, we will advertise once it is included in the package.

Kind regards,
Pedro