[CP2K-user] [CP2K:22301] cp2k and mace

[Jacopo Lupi]

Dear CP2K community and developers,

I am planning to use CP2K to train and fine-tune machine learning 
interatomic potentials using the MACE architecture.

Specifically, I am wondering if there is currently an established and 
tested workflow to call MACE models from CP2K to run geometry optimizations 
and NEB calculations.

Any insights, documentation, or hints would be greatly appreciated.

Best regards,

Jacopo

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