3. Usage

CryDisGen can be run in Terminal by entering the following command:

CryDisGen parameter_file crystal_file
_images/usage.png

Note that the first input paramater, parameter_file, refers to the name of an ACSII text file containing the tags that specify the informaiton of the dislocations. The second paramater, crystal_file, is the name of an ASCII text file providing the structural region where the dislocation will be inserted. Both files must be prepared by the user in advance.

To write a parameter_file, please refer to the Parameter file page. To prepare a crystal_file, you could either use the tools provided with CryDisGen, or use any other software that can create an atomic model with its format compatible with the read_data command of LAMMPS.

After entering the above command in Terminal and pressing the Enter key, if no error occurs, an output file named outfile.lmp will be generated in the same directory where the command is executed.

Both the input and output files of crystal structure can be directly read by the read_data command of LAMMPS or visualzied by OVITO