How to build ------------- mkdir build cd build cmake .. make ./gse -r r -L L -M M -sigma sigma -order order -seed seed --Old -- !make [CUDA=off] [FFTW=off] ! !Option CUDA=off switches off CUDA support and FFTW=off switches off FFTW support. ! !To cleanup do: ! !make clean ! !Requirements !------------- !C++ compiler !FFTW library (optional) !CUDA 5.0+ (optional, for SPME calculations) ! !How to run !----------- !Usage: cpu_gse -r r -L L -M M -sigma sigma -order order -seed seed Where: r = distance between pair of charges L = box side length M = number of grid points per side length sigma = Gaussian width order = SPME order, 4, 6, or 8. seed = random number seed For example ./cpu_gse -r 1.0 -L 20 -M 20 -sigma 2.121320344