can the trained ML_FF be used in the third part MD code? such as LAMMPS
Posted: Mon Nov 25, 2024 12:15 pm
is it ok? or in the future?
Support forum for VASP
https://wwww.vasp.at/
is it ok? or in the future?
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
Hello!
There is an update regarding the use of VASP machine-learned force fields in LAMMPS! It is now possible to preview this feature in VASP 6.5.0., instructions are provided here:
https://www.vasp.at/wiki/index.php/Runn ... _in_LAMMPS
Please note that currently still some restrictions apply. If you have any comments, questions, problems with the installation or bug reports please share them with us by starting a new topic in the forum. Thank you!
All the best,
Andreas Singraber