module mode_convert use parameters use box use elements use io public contains subroutine convert !This subroutine converts a single input file from one format to another character(len=100) :: infile, outfile real(kind = dp) :: temp_box_bd(6) !We have to allocate the element and atom arrays with a size of 1 for the read in code to work call alloc_ele_arrays(1,1) !First read in the file call get_command_argument(2, infile) call get_in_file(infile) call read_in(1, (/0.0_dp,0.0_dp,0.0_dp/), temp_box_bd) call grow_box(temp_box_bd) !Now get the outfile, writing is done after all the codes complete call get_command_argument(3, outfile) call get_out_file(outfile) end subroutine convert end module mode_convert