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.