Tutorials

These tutorials run the eOn server and client.

Tip

The atomistic-cookbook has more self-contained tutorials with Jupyter notebooks and visualization:

• Finding Reaction Paths with eOn and a Metatomic Potential: NEB for oxadiazole formation (N2O + ethylene) using PET-MAD, contrasting ASE’s standard NEB with eOn’s energy-weighted springs and dimer refinement

Tip

For built-in potentials (no metatomic download) with modern plt-neb / plt-min figures, start from Real systems for documentation (Morse Pt NEB, LJ cluster minimization, Pt dimer saddle).

Contents

• Real systems for documentation
  • Morse Pt NEB (built-in potential)
  • LJ cluster minimization (built-in potential)
  • Morse Pt saddle search (built-in potential)
• AKMC Tutorial
• Running a Parallel Replica Job
• Targeted displacement for saddle searches
• Dictionary-Style Configuration
• Visualizing optimization trajectories
• CECAM Workshop 2024
  • Virtualbox Troublshooting