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Hybrid-RANN-EAM

A. Installation:

  • Load necessary modules depands on machine *
  1. Copy ML-RANN-EAM folder in LAMMPS source code. Current version : lammps-23Jun2022
  2. cd lammps-23Jun2022/src
  3. make yes-ML-RANN-EAM
  4. make -j10 mpi

B. Run simulation

  1. cd sample_calculation/
  2. potential file: Sn.eam-r
  3. Job script: submit.sh

Happy simualtion :)

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