GPAW development can be done by anyone! Just take a look at the issue tracker and find something that suits your talents!
Now you are ready to to perfom a Developer installation and start development!
- Ongoing Projects
- New PAW setups
- Improving the RMM-DIIS eigensolver
- Improved density mixing
- Response and RPA correlation energy
- Bethe-Salpeter equation
- GW approximation
- Ehrenfest dynamics
- Bayesian error estimation functional (BEEF)
- Orbital-density dependent functionals and self-interaction correction
- Linear response TDDFT (Casida equation)
- Non-collinear spin
- Hybrid functionals
- Continuum Solvent Model (CSM)
- Electron-phonon interaction
- Linear response Hubbard +U
- Developer installation
When committing significant changes to the code, remember to add a note in the Release notes at the top (development version) - the version to become the next release.
Details about supported Platforms and architectures.
picture under your pillow:
The developer guide provides an overview of the PAW quantities and how the corresponding objects are defined in the code:
- Developers guide to GPAW
- GPAW enhancement proposals
- The PAW calculator object
- Wave functions
- Atomic PAW setups
- Density and hamiltonian objects
- GPAW’s Matrix object
- MPI communicators
- Miscellaneous objects and functions
The image below shows the development in the volume of the code as per April 5 2016.
Documentation refers solely the contents of this homepage. Inline documentation is included in the other line counts.