How fast do WavePacket simulations run?
The present Matlab codes are written such as to avoid unnecessary loops and using vector/matrix operations whereever possible. Hence, the computation speed is comparable to that of programs in a conventional programming language such as Fortran or C. Moreover, remember that most of the computational effort is due to Fourier transforms and matrix multiplications, which are realized in Matlab by using the FFTW algorithms (=Fastest Fourier Transform in the World) and the LAPACK libraries. If, nevertheless, you have the impression that simulations take too long and/or consume too much memory, this is almost always caused by the generation of (animated) graphics and/or the export thereof. Switching those off may in most cases drastically reduce both the required CPU time and the memory consumption. Another way of increasing the speed is to choose larger time steps, compensated by an inversely increased number of substeps. While numerically equivalent, this reduces the number of times that (
