I will soon be wanting to generate velocity autocorrelation functions (vacf) from lammps dump files. Has anyone else has done this or knows of some other software to do it?
I think fix_msd would be a great place to start adding vacf functionality in lammps. The velocity binning for a vacf is similar to the displacement binning in msd.
The next step is to Fourier transform the vacf and generate a frequency spectrum. Can fft3d be used for that?