Much of the basic information can be learned from the readme files throughout the code. For more details refer to the user manual (direct download link is here).

Major MLIP features:

  • MTP interatomic potentials
  • Fitting to energy, forces, and stresses, MPI parallelization
  • Active learning (aka learning on the fly)
  • Supports g++ compiler

 Interface with LAMMPS

Interface with LAMMPS is distributed separately, at the public repository under the GNU public license.