Description of work
Job to calculate power spectrum spectrum of atomic trajectories in a similar way to how we currently perform density of states, only the FFT of the position AC function is used in this case. Input to a low-pass filter for atomic vibrational modes.
Description of work Job to calculate power spectrum spectrum of atomic trajectories in a similar way to how we currently perform density of states, only the FFT of the position AC function is used in this case. Input to a low-pass filter for atomic vibrational modes.
Fixes None
To test Tests still to come