aselimov/cacmb
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions

Updates to box variables adding new sub_box variables and propagating changes through all of the modes

Browse source
This commit is contained in:
Alex 2019-12-07 13:38:52 -05:00
parent d624e6ed5d
commit fb2abc60d1
5 changed files with 59 additions and 15 deletions
Download patch file Download diff file Expand all files Collapse all files

5
src/mode_convert.f90
View file

@ -11,13 +11,14 @@ module mode_convert
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
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)