NWChemEx

This is the homepage for the NWChemEx software package. NWChemEx sits at the core of the broader NWChemEx Community. If you are new to NWChemEx and the NWChemEx community we recommend starting with the short introduction over on the NWChemEx Community’s website.

Note

TODO: Add link to the short introduction (and write it)

At the core of the NWChemEx Community is NWChemEx, a high-performance, modular, quantum chemistry software package.

The https://github.com/NWChemEx/NWChemEx is the top-level, user-centric repository for the NWChemEx project. The documentation you are currently reading is the top-most documentation page associated with the NWChemEx project. We have attempted to (and continue to attempt to) provide comprehensive documentation of the project, its APIs, and its use cases. If you are new to the project check out the getting started (TODO: add link) page to orient yourself. Otherwise use the table of contents below to help jump to the topic of interest.

Project-wide Documentation:

• Getting Started with NWChemEx
• About the NWChemEx Project
• Building the NWChemEx Package
  • Prerequisites
  • Building NWChemEx
• Running NWChemEx
• Collaborator Documentation
  • PluginPlay Primer
  • Advanced PluginPlay Primer
  • Collaboration FAQs
• Module API
• C++ API

Infrastructure Documentation:

• PluginPlay
• SimDE
• Utilities
• Chemist

First Party NWX Plugins:

• FriendZone
• ChemCache