A. Installation:
- Load necessary modules depands on machine *
- Copy
ML-RANN-EAM
folder in LAMMPS source code. Current version : lammps-23Jun2022 - cd lammps-23Jun2022/src
- make yes-ML-RANN-EAM
- make -j10 mpi
B. Run simulation
- cd sample_calculation/
- potential file: Sn.eam-r
- Job script: submit.sh
Happy simualtion :)