3. Tutorials: ReaxFF & DFTB

ReaxFF and DFTB ParAMS tutorials. Other AMS tutorials (not using ParAMS) can be found in the Tutorials section of the main AMS documentation.

We recommend all ParAMS users to go through the Getting Started: Lennard-Jones tutorial before any other tutorial.

The Python-based DFTB and GFN1-xTB ParAMS examples are now collected in the ParAMS Python examples page.

• 3.1. ReaxFF (basic): H₂O bond scan
• 3.2. ReaxFF (advanced): ZnS
• 3.3. ReaxFF: Convert old file format
• 3.4. ReaxFF: Training set for cobalt
• 3.5. GFN1-xTB: Lithium fluoride
• 3.6. DFTB repulsive potential