A tour of the GPAW source code¶
Slides¶
- Overview
- What is GPAW?
- A simple example
- Modes
- Which mode?
- Important tools
- Installation with pip and PyPI
- Installing GPAW
- The first test
- Getting the source code
- Install from source
- Command-line interface
- Sub-commands
- Running python scripts
- Testing
- Bigger tests
- Gitlab CI
- Test summary
- C-code
- time-profile
- PAW-data, PP’s and basis sets
- The web-page
- Inside a gpw-file
- Parallelization distribution of data
- Last slide
- Extra stuff
- Closing words