Is ML_FF used in LAMMPS ?
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- Jr. Member
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Running VASP MLFFs in LAMMPS
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?
I am good at using LAMMPS in MD simulation.
How to use the FF in LAMMPS like DeepMD?
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- Global Moderator
- Posts: 530
- Joined: Mon Nov 04, 2019 12:44 pm
Re: Is ML_FF used in LAMMPS ?
Currently we don't have a LAMMPS interface, but in a future realese it will come.
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- Jr. Member
- Posts: 64
- Joined: Tue Nov 19, 2019 4:15 am
Re: Is ML_FF used in LAMMPS ?
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
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- Global Moderator
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Re: Is ML_FF used in LAMMPS ?
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...