POTEN is a package for developing interatomic potentials. The package uses Torch7 project and is based on Lua. As of today, POTEN only supports atom-based Neural Network potentials and pair interactions.
See example notebook at examples/poten_examples.ipynb .
Please read the LICENCE file.
Berk Onat, Ekin D. Cubuk, Brad D. Malone, and Efthimios Kaxiras, "Implanted neural network potentials: Application to Li-Si alloys", Phys. Rev. B 97, 094106 (2018)
TORCHINSTALL="path/to/torch/install/dir/" ./compile.sh