Reference.Variables.plots

Variable "plots" in MATLAB/Octave version of WavePacket

This global, structured(!) variable contains a plethora of parameters that control the appearance of the various plots and movies that WavePacket can create (mostly on the fly, i.e., while the simulations are running). For a simple explanation, see also the respective section of our Users' Guide.

Densities

WavePacket can visualize time evolving densities, calculated either as absolute squares of wavefunctions (see class "wave") or obtained by binning trajectory data (see class "traj" or any of the surface hopping classes) in many different ways. The corresponding field "plots.density" can be an object of one of the following classes defined in the "+vis" package folder:

class	description	dimensionality
densities	generic classdef (superclass): all classdef's below inherit from this one	n.a.
curve	curve plots	1D only
polar	polar plots	1D only
contour	contour plots	1D (Wigner) and 2D
surface	surface plots	1D (Wigner) and 2D and 3D
flux	probability fluxes	1D and 2D
scatter	scatter plots (trajectories only)	1D only ¹
reduced_1d	reduced densities in each dimension	wave: up to 6D ¹ traj: (almost ;-) any number
reduced_2d	reduced densities in pairs of dimension	wave: 2D, 4D, and 6D ¹ traj: (almost ;-) any even number
bar	bar plots, for classes ket and rho only	1D and 2D

¹ Extensions to higher dimensionality available upon request

Expectation values

WavePacket can visualize expectation values of the most important observables, either calculated from wavefunctions (see class "wave") or from trajectory bundles (see class "traj"), the latter with or without surface hopping. The corresponding field "plots.expect" has be an object of the following class defined in the "+vis" package folder:

class	description
expect	visualization by various curve plots
in_out	input/output of a bilinear control system, classes ket and rho only

Absorption spectra

WavePacket can visualize absorption spectra, either calculated as Fourier transform of wavefunction autocorrelation (from qm_propa) or directly from bound state calculations (from qm_bound). The corresponding field "plots.spectrum" has to be an object of the following class defined in the "+vis" package folder:

class	description
spectrum	visualization by curve plot

General settings

By default, the densities, the expectation values, and the spectra are plotted with hopefully reasonable default settings. However, in case of special requirements you may want to overwrite some of them though, preferably by making suitable settings in your qm_init.m file. There is a plethora of plot properties such as window sizes, plot ranges, etc. For detailed information, look inside the class definitions listed above.

Should you want to tweak even the minor aspects of plot creation, such as font names, line widths, default colors etc. you should note that all of the above mentioned classdef's inherit those properties from a general definition of visualization styles.