The cluster unexpectedly threw away cuda 5.0, so I had to upgrade everything to cuda 6.0. This probably didn't have much impact on the code, but the Makefile now has to use SM architecture 2.0. Also found a bug in cell.cpp, which I thought I had already changed, but apparently only changed for the FFTW implementation. This was making the charge sum to the wrong value. However, there are still bugs in the code, and it is possible that the storing of _rhoin() or _rhoout() or the miller indices is faulty/ different from those of the fortran code.