Scientific software


Octopus is a scientific program aimed at the ab initio virtual experimentation on a hopefully ever-increasing range of system types. octopus is a software package for performing Kohn–Sham density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations. The code is written predominantly in Fortran, with some C and Perl. It is released under the GPL.


FortranCL is an OpenCL interface for Fortran 90. It allows programmers to call the OpenCL parallel programming framework directly from Fortran, so developers can accelerate their Fortran code using graphical processing units (GPU) and other accelerators.