dump2VDOS: Vibrational density of states from LAMMPS dump file

This script makes use of LAMMPS MD trajectories which include velocity information. The dump file format should be of the following:

ID TYPE x y z vx vy vz

The use of numpy.correlate and numpy.fft are implemented for efficiency. However, one should be cautious of memory usage for large number of atoms or long times.

Work that has cited this code:

[1] Deringer, V.L., Bernstein, N., Csányi, G. et al. Origins of structural and electronic transitions in disordered silicon. Nature 589, 59–64 (2021). https://doi.org/10.1038/s41586-020-03072-z

[2] Bregado, J. L., Tavares, F. W., Secchi, A. R., Segtovich, I. S. V., Thermophysical Properties of Amorphous-Paracrystalline Celluloses by Molecular Dynamics. Macromol. Theory Simul. 2020, 29, 2000007. https://doi.org/10.1002/mats.202000007