is it ok? or in the future?
can the trained ML_FF be used in the third part MD code? such as LAMMPS
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suojiang_zhang1
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pedro_melo
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Re: can the trained ML_FF be used in the third part MD code? such as LAMMPS
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