"-I" option defines the name of UDF file which contains details of simulation (type of simulation, initial conditions, physical and simulation parameters, etc...).
"-O" option defines the name of UDF file which contains the results (time-dependent positions and velocities of all the particles, etc...) of the simulation.
"-D" option defines the name of UDF file which contains definitions of KAPSEL data format. This is common for any simulations, but the versions of input.udf and define.udf must be the same.
"-R" option defines the name of UDF file which contains values of all dynamical variables at the end of the simulation See "Re-start run" below.
Field data (fluid velocities, ionic densitied, etc...) is saved in a subdirectory specified in "input.udf" if "output.AVS" = "on". This requires huge disk space (GB order). No field data is saved if "output.AVS" = "off".
Start GOURMET and open "output.udf".
Instantaneous positions and velocities of all the particles can be seen as variables in "Particles[]". Use slide bar at the bottom of GOURMET viewer window to see variables at different time steps.
The sample input.udf takes less than a minute to run.
Animation on GOURMET
Save &ref(): File not found: "particleshow.py" at page "Tutorial";.
Start GOURMET
"File" -> "Open" -> Open "output.udf".
Move down to "Python" panel, and click "Load"
Open "particleshow.py".
Click "Run"
A new window will open, and click the playback button ">" there.
Gnuplot on GOURMET
Save &ref(): File not found: "plot.py" at page "Tutorial";.
Start GOURMET
"File" -> "Open" -> Open "output.udf".
Move down to "Python" panel, and click "Load"
Open "plot.py", and click "Run"
Move up "View" box, and check "Table"
Move down-left and select "Graph Sheet[]".
Move down to "Plot" panel, and type plot "plot.dat" using 2:7 title 'vy0' with lines in the command box.
Click "Plot", and you will see the time evoluation of Vx.
Animation on AVS/Express (optional)
One can enjoy much advanced data-visualization with AVS/Express. A sample visualization network &ref(): File not found: "avs_charge.v" at page "Tutorial"; is attached.
The history of simulation run (instantaneous positions and velocities of particles) is stored in "output.udf". One can access to this file by one of the following methods.
Python program. Read the manual below.
English: &ref(): File not found: "pythoninterface_eng.pdf" at page "Tutorial";
Japanese: &ref(): File not found: "PythonInterface_jpn.pdf" at page "Tutorial";
&ref(): File not found: "sk.py" at page "Tutorial"; is a sample python script to calculate the static structure factor S(k) from the temporal particle positions stored in "output.udf". Read and edit the script for your purpose.
- For Windows
"Start Menu" > "All Programs" > "OCTA2010" > "StartGourmetTerm"
> python sk.py (sample only, can be abnormally terminated)
Fortran or C program with libplatform (library to access UDF). Read the manual below.
English: &ref(): File not found: "libplatform_eng.pdf" at page "Install";
Japanese: &ref(): File not found: "libplatform_jpn.pdf" at page "Install";
KAPSEL outputs some important data to stderr. It usually appears in command line, but one can redirect stderr to a file on csh and tcsh
