Welcome to SIMPLE-NN documentation!

SIMPLE-NN (SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network) SIMPLE-NN is a code to construct the neural network interatomic potential (NNP) from ab initio results. SIMPLE-NN also provides an interfacing module to LAMMPS for executing MD.


Please be understood that we are currently rewriting the documentation for better readibility. We will finish it as soon as possible.