Chemist Tutorials

These tutorials aim to familiarize users with the Chemist C++ and Python API by providing examples of typical use cases.

Contents:

• Nucleus
  • Construction
  • Properties
  • Modifying properties
• Atom
  • Construction
  • Properties
  • Serializing
• Molecule
  • Construction
  • Properties
  • Serializing
• Points: Measuring a Water Molecule
  • Getting a Number Back Out
  • One API, Two Ownership Models
  • Building the Molecule
  • Centering the Molecule
  • Measuring the Molecule
  • Handing the Coordinates Out
  • Passing Sets Around
  • Recap