27 lines
735 B
Fortran
27 lines
735 B
Fortran
|
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
|
||
|
|
|
||
|
|
!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
|
||
|
|
|
||
|
|
!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
|