Systems

Each system page shows how to define the system, launch training, and run evaluation for final observables. For shared CLI patterns like debug runs, resuming, branching, evaluation, and reporting, see Running Workflows.

• Molecules
  • Helpful Background
  • Define the system and train
  • Evaluate a trained model
  • System definition shortcuts
    • Single Atoms
    • Diatomic Molecules
  • Basis Sets and ECPs
  • Estimators
  • Production Settings
  • Where To Go Next
• Solids
  • Helpful Background
  • Define the system and train
  • System definition shortcuts
    • Rock Salt
    • Two-Atom Chain
  • Supercell Expansion
  • Evaluate a trained model
  • Production Settings
  • Where To Go Next
• Quantum Hall
  • Background
  • Basic Usage
  • How It Works
  • Interpreting Energy Output
  • Composite Fermions
  • Angular Momentum Penalties
  • Recommended Hyperparameters
  • Evaluation
    • Additional Evaluation Estimators
  • Workflow Notes
  • Further Reading