PowerBorn is a fast and accurate method for computing Born radii in the generalized Born model.
If you are using PowerBorn for your scientific work, please cite:
Brieg, M. & Wenzel, W. PowerBorn: A Barnes–Hut Tree Implementation for Accurate and Efficient Born Radii Computation. J. Chem. Theory Comput. 9, 1489–1498 (2013).
Hardware supporting SSE instruction set
Eigen 3 library http://eigen.tuxfamily.org
Optional: SCons to build the examples http://www.scons.org/
PowerBorn is distributed under the GNU Lesser General Public License. See the COPYING files in the source directory.
Known bugs & limitations
The implementation does not currently run on non SSE architectures due to a bug in Atoms_default.h
Born radii become inaccurate if there atoms fulfilling: radius + probe_radius > 10.0
FAST integration factor was changed to 10.0, which was also used for the cited paper above due to a bug in the code.
Copyright 2013 Martin Brieg and Wolfgang Wenzel