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 Users' Guide
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") 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 5D ¹ traj: any number |
| reduced_2d | reduced densities in pairs of dimension | wave: 2D and 4D ¹ traj: any even number |
¹ Extensions to higher dimensionality available upon request
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 corresponding field "plots.expect" has be an object of the following classes defined in the "+vis" package folder:
| class | description |
|---|---|
| expect | visualization by various curve plots |
WavePacket can visualize absorption spectra, calculated as Fourier transform of wavefunction autocorrelation (see class "wave"). The corresponding field "plots.spectrum" has be an object of the following classes defined in the "+vis" package folder:
| class | description |
|---|---|
| spectrum | visualization by curve plot |
By default, the density and the expectation values are plotted with reasonable default settings. However, in case of very special requirements you may want to overwrite some of them though. There is a plethora of variables to tweak even the minor aspects of plot creation, such as font names, line widths, window sizes etc. Below, we are trying to give a complete description.