991 B
Merge
cacmb --merge dim N infiles
This mode merges multiple data files and creates one big simulation cell. The parameters are:
dim - the dimension they are to be stacked along, can be either x, y, or z. If the argument none is passed then the cells are just overlaid.
N - The number of files which are being read
infiles - The input files which are to be merged. There must be N of them.
Additional options:
Shift
shift x y z
If the shift command is passed to mode merge then each file after the first file in the merge command is displaced by the vector [x, y, z]. This is additive so if you are merging three files and this command is passed then the second file is shifted by [x,y,z] and the third file is shifted by 2*[x,y,z].
Example: cacmb --merge z 2 Cu.mb Cu2.mb Cu3.mb Cumerged.mb shift 2 0 0 will shift the atomic and element positions in the Cu2.mb file by [2,0,0] and the positions in Cu3.mb by [4,0,0].