I want to know how to control the generation of number of atoms.
Means I want to change number of atoms for each run.
lattice hex 0.93 13
region box block 0 150 0 40 -0.25 0.25
create_box 5 box
create_atoms 1 box
If I am correct, region command is responsible for calculating number of atoms.
I want to know the meaning of different parameter in region command to calculate number of atoms.
For the above parameters 12191 atoms are created, can anyone tell me about how the above parameters involved in the calculation of number of atoms.
Is there any way to change number of atoms through command line arguments?
Grid Application Research Lab
Supercomputing Education adn Reseach Center
Indian Institute of Science