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Running VASP MLFFs in LAMMPS
Posted: Tue Sep 20, 2022 4:46 am
by suojiang_zhang1
Hi, be pleasure to get an accurate FF by vasp_ML.
I am good at using LAMMPS in MD simulation.
How to use the FF in LAMMPS like DeepMD?
Re: Is ML_FF used in LAMMPS ?
Posted: Thu Sep 22, 2022 1:54 pm
by ferenc_karsai
Currently we don't have a LAMMPS interface, but in a future realese it will come.
Re: Is ML_FF used in LAMMPS ?
Posted: Mon Feb 10, 2025 2:48 am
by suojiang_zhang1
Dear:
I have finished a MLFF train using vasp6.5, and got a ML_FF file.
After that, I want to run a MD simulation in a larger size system using lammps.
I can refer to the site https://www.vasp.at/wiki/index.php/Runn ... _in_LAMMPS, but I can not run the LAMMPS.
Could you please provide an completed exmple input of lammps to run the MD simulation.
Yours
Re: Is ML_FF used in LAMMPS ?
Posted: Mon Feb 10, 2025 8:44 am
by andreas.singraber
Please do not reopen very old topics, but rather create new ones:
https://www.vasp.at/forum/viewtopic.php?t=20009
I am closing this one...