* How to simulate [#f5c9dfdb] ** To perform normal simulation [#le4c697d] - Obtain an appropriate sample UDF file for your purpose from our examples. - Start "Gourmet" and open the UDF file. Modify it for your own purpose and save it as "input.udf". - Run KAPSEL as follows. (remove "./" if you use Windows command prompt) > ./kapsel -Iinput.udf -Ooutput.udf -Ddefine.udf -Rrestart.udf -- "-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 dormat. This is common for any simulations. -- "-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 window to see variables at different time steps. -- Load "plot.py" to plot time evolutions of the variables. ([[See STEP4>InstallB]]) -- Load "particleshow.py" to visualize motions of particles. ([[See STEP4>InstallB]]) ** To re-start previous simulation [#u7810c9a] - One can re-start simulations from the end of the previous run. - Start "Gourmet", and open "restart.udf" - Set "resume.Calculation" = "CONTINUE" - Increase "output.Num_step", and save it as "input2.udf" - Run KAPSEL as follows. (remove "./" if you use Windows command prompt) > ./kapsel -Iinput2.udf -Ooutput2.udf -Ddefine.udf -Rrestart2.udf ** To analyze simulation data [#hcc313c6] - 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(pythoninterface_eng.pdf); --- Japanese: &ref(PythonInterface_jpn.pdf); -- Fortran or C program with libplatform (library to access UDF). Read the manual below. --- English: &ref(Install/libplatform_eng.pdf); --- Japanese: &ref(Install/libplatform_jpn.pdf); - 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 > ./kapsel -Iinput2.udf -Ooutput2.udf -Ddefine.udf -Rrestart2.udf >& out1 or on sh, bash, and Windows command prompt # ./kapsel -Iinput2.udf -Ooutput2.udf -Ddefine.udf -Rrestart2.udf 2> out1