Program's manual


1. Download the program code
2. Compile code
3. Prepare required files and initial data
4. Executing
5. Results

1 step Create work directory (for convenience). Download the program code from my site to the work directory.
2 step

Program was written on Fortran77 and for its executing you have to compile the code .

  • For Unix/Linux users: 

    You have to change current directory to the work directory (where the downloaded program is placed) and using Fortran compiler by the command: f77 -o adcalc.exe adcalc.f you could obtain executable file adcalc.exe 

    g77 free Fortran compiler: http://www.gnu.org/software/fortran/fortran.html

     

  • For Windows users: you can use free editor/compiler Force (by clicking on the link it is possible opening additional window with advertising).

    Install the Force editor, open file adcalc.f and push Ctrl+F9 for compilation and F9 for executing.

3 step

The program runs in the dialog regime and therefore It is desirable to prepare to the simulation:)

  •  You have to place in the work directory auxiliary file with name latticeDIM.txt, which will contains coordinates (x,y,z) of all sites  that will be used for hoping. Example of file is placed here.
The number DIM in the name of the file latticeDIM.txt  is a number of sites in the row. For example, the file lattice5.txt contains coordinates of the lattice 5X5X5 what has 125 sites, but the file lattice21.txt contains coordinates of the lattice 21X21X21 what has 9261 sites.

The file with lattice site coordinates may be obtained by running lattice generator

  • You have to be ready enter the next input characteristics:
Energy deviation - SIGMA
Seed for random number generation
Tunneling rate - GAMMA
Conformational disorder - SIGMAGAMMA
Magnitude of external field - F
Temperature - TEMP
See explanation
  • If you  don't know what input  parameters are fit, use parameters that will be offered in the brace brackets {...}
4 step For program executing run adcalc.exe

If you entered parameters that have a sense, program has to run. If program did not runs right see Help.
5 step Results will be in the files mu.txt, jumps.txt, energy.txt

You can analyze data in the files, but if you want more details see Comments in the body of the code.
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