Available Visualization Scripts

The directory Visualization_Scripts contains several bash scripts to process the ASCII output of an MCTDHX_analysis run into .mpg or .avi movies. For a list of the currently available scripts and their function, see Table 9.

Table 9: List of available visualization scripts.

Visualization Script	Function
1D-CORR1-K	Movie of the coherence $\vert g^{(1)}\vert^2$
1D-CORR2-RESTR-X	Movie of the two-body correlations $\vert g^{(2)}\vert$ on a restricted grid.
1D-DENSITY_X-TIME-EVOLUTION-PM3D	``Movie'' of the density $\rho(x,t)$, i.e., 2D plot where the $y$-axis is time.
1D-CORR1-RESTR-K	Movie of the coherence $\vert g^{(1)}\vert^2$ in momentum space on a restricted grid.
1D-CORR2-X	Movie of the two-body correlations $\vert g^{(2)}$.
1D-CORR1-RESTR-X	Movie of the coherence $\vert g^{(1)}\vert^2$ on a restricted grid.
1D-DENSITY_K	Movie of the momentum density $\rho(k,t)$.
1D-CORR1-X	Movie of the coherence $\vert g^{(1)}\vert^2$.
1D-DENSITY_X	Movie of the density $\rho(x,t)$.
2D-DENSITY_M2	Movie of the density and the first two orbitals in two-dimensional computations.
2D-DENSITY_M3	Movie of the density and the first three orbitals in two-dimensional computations.
2D-DENSITY_M4	Movie of the density and the first four orbitals in two-dimensional computations.
2D-ORB_AVG_PHASE_DENSITY_Lz	Movie of Orbital average phase, density and angular momentum in two-dimensional computations.
2D-AVG-PHASE	Movie of the average phase in two-dimensional computations.
2D-DENSITY_K	Movie of the momentum density in two-dimensional computations.
2D-AVG-PHASE-PHASEGRADIENT-
DENSITY-ENERGY-LZ	Movie of the average phase, phase gradient, density and angular momentum in two-dimensional computations.
2D-DENSITY_X	Movie of the density in two-dimensional computations.
CI	Movie of the CI coefficients.
nat_occ_loop	Plotting the natural occupations of a computation.

All the above scripts take 5 command line arguments: start time, stop time, time increment, number of orbitals, number of particles. To generate a movie of the coherence on a restricted grid in momentum space one could do 1D-CORR1-RESTR-K 0 100 0.1 4 101 - this command would generate a movie for the first $100$ time units in steps of $0.1$ for an $M=4$ computation with $N=101$ particles. The visualization master script, vms.sh, automates the usage of the above movie scripts.

The way in which this is achieved, is by first processing the output files of an an MCTDHX_analysis run with mctdhx_gnuplot and produce a time-series of images. Subsequently, this time-series of images is encoded as a movie file using mctdhx_mencoder. mctdhx_gnuplot and mctdhx_mencoder are installed on your platform from the source tarball in the subdirectory External_Software by the MCTDH-X installation script. The automated way of using the visualization scripts is through the visualization master script. The Visualisation Master Script (vms.sh) is a short bash script that can be used to conveniently facilitate the creation of videos from a computation's data. To use vms.sh, just run it with the command

vms.sh <Movie Type> <Computation directory> <Lower plot range>
<Upper plot range> <#Gridpoints> <2D-Slice 1> <2D-Slice 2>

where Movie type is one of the scripts in the VisualisationScripts directory. If Movie type=``all'' is specified, all available movie scripts will be run for the particular computation. The computation directory must contain the input file MCTDHX.inp of the computation. The other arguments are optional and need not to be given. They can be used to fine-tune the output of the analysis program, i.e., the plotting range, the gridpoints and the slices for the output of the correlation functions of two-dimensional computations. If you need to find out the valid strings to use, then run the command ./vms.sh and list of the available strings will be output to the screen. If the command ./vms.sh <Movie Type> <Computation directory> ... is entered successfully, it will generate all the ASCII data from the binary MCTDH-X output and build the movie(s). All the visualization scripts in the Visualization_Scripts subdirectory have five command line arguments: timeInitial, the time at which the movie will begin; timeIncrement, the time difference between each frame; timeFinal, the time at which the movie will end; MOrbs, the total number of orbitals in the simulation and Npar, the number of particles in the simulation. vms.sh basically calls the respective desired visualization script(s) with the appropriate arguments. Eventually, it prints a short message `And we are happy.' once the video has been successfully created. Of course, one can also call the scripts in the Visualization_Scripts directory manually by typing

<Visualization_Script> <timeInitial> <timeFinal> <timeIncrement> <MOrbs> <Npar>

where <Visualization_Script> can be chosen from the list in Table 9.