The MLIP package: moment tensor potentials with MPI and active learning

The subject of this paper is the technology (the how) constructing machine-learning interatomic potentials, rather than science what and why) atomistic simulations using potentials. Namely, we illustrate how to construct moment tensor potentials active learning as implemented in MLIP package, focusing on efficient ways sample configurations for training set, expanding set changes error predictions, up ab initio calculations a cost-effective manner, etc. package (short Machine-Learning Interatomic Potentials) available at https URL.