Hi everyone:
I set a motion group of atoms in a periodic cell and the group is translated step by step. It might move out of the boundary of the cell. Will the boundary also move to wrap all the atoms? I am using Perl scripting to realizing this. Thanks very much.
Shaorui
I set a motion group of atoms in a periodic cell and the group is translated step by step. It might move out of the boundary of the cell. Will the boundary also move to wrap all the atoms? I am using Perl scripting to realizing this. Thanks very much.
Shaorui