DFTB+: general package for performing fast atomistic calculations
DFTB+ is a software package for carrying out fast quantum mechanical atomistic calculations based on the Density Functional Tight Binding method. It can be either used as a standalone program or integrated into other software packages as a library.
The project is hosted on github.
DFTB+ is released under the GNU Lesser General Public License. Please consult the included LICENSE file for the detailed licensing conditions.
Information on the compiling, testing and installation of DFTB+ is given in the file INSTALL.rst in this directory.
If you wish to contribute to the project, please check the CONTRIBUTING.rst file for guide lines.