Exciting! - a developer-friendly DFT package.

Take a look under the hood of your favorite code package. Is there anything you would like to improve? Many PhD students around the world are using code they inherited from their fellow students or supervisors. Not everyone can interpret what’s going on deep down in the ancient FORTRAN 66 subroutines written by someone who is now a well respected professor, but back then was a dope smoking hippie with lots of other things on his mind than documenting and commenting his computer code.

The electronic structure code EXCITING! was written in two years, mainly by one postdoc in Graz, Austria. His task was to implement some simple things in another density functional theory code that was so poorly written that the postdoc decided to write his own program. And this time in a way which would simplify the life of others who wishes o make a contribution to the development of electronic structure methods.