LAMMPS REAXFF parameter file

[Chenghao-Wu]

Dear developers,

thank you very much for the nice package, may I ask if it is possible to integrate LAMMPS REAXFF parameter file to calculate forces and energys in the jax-reaxff?

Thank you for your time!

[cagrikymk]

Hello,
I believe LAMMPS use the same file format for the force fields. As long as you create the corresponding files (geometry and trainset.in file), you should be able to calculate the forces and energies.

[Chenghao-Wu]

Thank you very much for you confirmation. I will definitely give a try to figure it out.