Project Architecture

The purpose of this page is to collect assorted topics that are of interest to people wanting to learn more about why NWChemEx’s architecture is the way it is. Architecture discussions of individual plugins is left to the plugin maintainers. This page is limited to high-level, organization-wide architecture discussions.

Motivations

Interactions between NWChemEx and the landscape in which it operates, fuel key design decisions that are pervasive through the project. The topics in this section describe the high-level landscape in which the NWChemEx project operates in an attempt to capture the motivation for these decisions.

• NWChemEx’s Stakeholders - Learn how pleasing stakeholders shapes our design needs.
• NWChemEx’s Ecosystem - Learn how being a good neighbor shapes our design needs.

Architecture

The following sections cover design decisions related to the overall architecture of the NWChemEx software stack starting form our GitHub organization and extending down to the individual repositories comprising the stack.

• NWChemEx Organization
• SimDE
• FAQs