Developer Documentation

Topics in this section are concerned with helping the reader understand the design of Chemist, and how to develop/contribute to the Chemist repository. It is assumed that the reader is already familiar with Chemist Background.

Contents:

• Design Documentation
  • Architecture of Chemist
  • Design of the Chemical System Component
  • Design of the AO Basis Set Component
  • Design of the Topology Component
  • Design of the Fragmenting Component
  • Design of the Quantum Mechanics (QM) Component
  • DSL Component
• Developing the Chemical System Component
  • Understanding Couplings
• Creating a New View
• Understanding the Traits Component
• Notes on Adding an Operator
• NWChemEx author documentation