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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!
The text was updated successfully, but these errors were encountered:
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.
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!
The text was updated successfully, but these errors were encountered: