NWChemEx’s Developer Documentation

This documentation is aimed primarily at developers of NWChemEx. Broadly speaking this documentation focuses on:

• Project-wide design decisions

• Project-wide conventions

• Tips and tricks for developing with NWChemEX

• Tutorials related to tools closely associated with NWChemEx (e.g. git)

This documentation is meant to be a living document so please feel free to contribute.

Contents:

• Project Conventions
  • C++ Coding Conventions
  • Using Doxygen in the NWChemEx Project
  • Python Coding Conventions
  • Conventions for Writing reST Documentation
• Design Documentation
  • Design Philosophy
  • NWChemEx Ecosystem
  • Overall Design
  • Overall Design Justification
  • Energy Workflow
  • FAQs
• Developing NWChemEx
  • Preliminaries
  • C++ Development Workflow
  • Using IDEs to Develop NWX
• Project Management
  • How NWX’s CI Works
  • Documentation Deployment
• Additional Developer Resources
  • Git and GitHub Procedures
  • reST Cheat Sheet
  • Writing Tutorials
  • Recommended Development Resources