This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.
- Au_training.zip: Directory containing all data and scripts to train the MLFF, rescale the energy noise, and map onto the final coefficient file for use in MD.
- README.md: README file containing information for all directories.
- Au_MD_simulations.zip: Directory containing simulation input and output, the latter in the form of lammps-data files. Trajectory files are not included to conserve memory, but the *.dat files corresponding to various snapshots along the simulation time as described in each input file.