Reference.Programs.qm_movie

qm_movie: Generate movies from WavePacket propagations

While running bound state calculations with qm_bound or wavepacket|trajectory propagations with qm_propa, there is already the possibility to do visualization on the fly. If, however, you want to repeat and/or modify the visualization, you may use this Matlab function which reads wavefunctions or trajectory bundles calculated (and saved!) by qm_bound or qm_propa and visualizes them (again).

Source code

The MATLAB function qm_movie can be found here

Note that qm_movie.m works only with objects of all of the main classes currently available in WavePacket, see the following table:

class name	description
wave	wavefunctions, represented on grids
ket	state vecors, in eigen/energy representation
rho	density matrices, in eigen/energy representation
traj	classical densities, represented by swarms of trajectories
mssh	multiple switches surface hopping trajectories
fssh	fewest switches surface hopping trajectories
sssh	single switch surface hopping trajectories

File I/O

The name of directory where wavefunctions or trajectory bundles are read from, as well as the filename(s), are taken from the respective properties of object state, i.e.,

state.save_dir
state.save_file

For further information on how wavefunctions are saved and/or loaded, see also here.

You have to make sure that - while running bound state calculations with qm_bound or wavepacket|trajectory propagations with qm_propa, the sequence of propagated data is saved to unformatted Matlab data files which is achieved by the following code line

state.save_export = true;

Visualization techniques

For more details see our Wiki page on visualization in the Matlab version of WavePacket

Variables

Note that function qm_init should be run previously in order to initialize all variables in use. Of particular interest is the following structure:

• plots
• state
• time