Is ML_FF used in LAMMPS ?

Queries about input and output files, running specific calculations, etc.


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suojiang_zhang1
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Running VASP MLFFs in LAMMPS

#1 Post by suojiang_zhang1 » Tue Sep 20, 2022 4:46 am

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?

ferenc_karsai
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Re: Is ML_FF used in LAMMPS ?

#2 Post by ferenc_karsai » Thu Sep 22, 2022 1:54 pm

Currently we don't have a LAMMPS interface, but in a future realese it will come.

suojiang_zhang1
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Re: Is ML_FF used in LAMMPS ?

#3 Post by suojiang_zhang1 » Mon Feb 10, 2025 2:48 am

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


andreas.singraber
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Re: Is ML_FF used in LAMMPS ?

#4 Post by andreas.singraber » Mon Feb 10, 2025 8:44 am

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...


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