Table 1 An overview of the most important additions and improvements in AiiDA 1.0 with respect to the version described in ref. 7. Components with the status “Redesigned” have been partially or completely redesigned and reimplemented.
Component | Status | Description |
|---|---|---|
Engine | ↻ Redesigned | Responsible for running all calculations and workflows |
Workflow language | + New | Allows to write robust and modular workflows |
Daemon | ↻ Redesigned | Rewritten to be able to scale on demand |
Provenance graph | ↻ Redesigned | Core concept extended to include workflows |
Query builder | + New | New tool thats allow querying the provenance graph through Python API |
REST API | + New | Provides access to the database over the HTTP protocol |
Database | ⊕ Optimized | Improved query speed and storage efficiency |
Plugin system | + New | Provides a plug-and-play system to install extensions of AiiDA |
