How can I get the parameters in the trainset.in and params for training?

cagrikymk / JAX-ReaxFF

JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields

GNU General Public License v3.0

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How can I get the parameters in the trainset.in and params for training? #13

Open ly3ym opened 9 months ago

ly3ym commented 9 months ago

Hello developers, I'm trying to train some new system with JAX-ReaxFF, but I don't know the meaning of the parameters in the params file and the trainset.in file, how should I understand and set these parameters for training?