TutorialsΒΆ
- Tutorial 1: EXESS CHELPG Charge Analysis
- Tutorial 2: EXESS Single Point Energy
- Tutorial 3: EXESS Exporting Properties
- Tutorial 4: EXESS Geometry Optimization
- Tutorial 5: EXESS Interaction Energy
- Tutorial 6: EXESS QM/MM Dynamics
- Tutorial 7: NN-xTB Energy and Forces
- Tutorial 8: smol-similarity nearest-neighbor search