[lammps-users] Vibration analysis

Dear All,

I want to calculate the velocity auto-correlation function VACF as a function of frequency for a bulk liquid. Can I do it directly in LAMMPS or do I need to do some post-processing?


What LAMMPS can do is described in its documentation. There is, for example, a compute vacf command. If that is suitable for you needs is up to you to decide.