VASP Versions for Machine Learning

[qingyu_wang]

Hello everyone,
I obtained a force field file ML_AB through training with VASP 6.4.3. However, I have noted that VASP enables the application of ML_FF files in LAMMPS, with the version constraint that VASP must be version 6.5.0 or higher. Therefore, can I re-train this ML_AB file (either entirely or with an additional training step) using VASP 6.5.0 to render it applicable in LAMMPS?
Best wishes!

[martin.schlipf]

ML_AB files are backwards compatible. You can and should retrain the force field to generate a new ML_FF. Then you can use the new force field with the new version of the code e.g. with the LAMMPS interface.