Separated wrap option to reduce opy and pasted code. Fixed warnings and added wrapping when inserting a dislocation or loop

This commit is contained in:
Alex 2020-01-29 10:25:33 -05:00
parent 636ae9421b
commit dc42b7b925
11 changed files with 55 additions and 46 deletions

View file

@ -39,20 +39,27 @@ program main
call box_init
call random_seed
force_overwrite=.false.
wrap_flag = .false.
end_mode_arg = 0
! Command line parsing
arg_num = command_argument_count()
!Check to see if overwrite flag is passed
!First check to see if certain commands are passed, these commands must be known before code
!is executed.
do i = 1, arg_num
call get_command_argument(i,argument)
select case(trim(adjustl(argument)))
!This lets us know if we are overwriting all files
case('-ow')
force_overwrite = .true.
print *, "Overwrite flag passed, output files will be overwritten"
!This lets us know if we need to wrap atomic positions back into the cell
case('-wrap')
wrap_flag=.true.
end select
end do
!Determine if a mode is being used and what it is. The first argument has to be the mode
@ -86,11 +93,14 @@ program main
call call_option(argument, arg_pos)
!Otherwise print that the argument is not accepted and move on
else
print *, trim(adjustl(argument)), " is not accepted. Skipping to next argument"
arg_pos = arg_pos + 1
print *, trim(adjustl(argument)), " is not an accepted command."
stop 3
end if
end do
!If wrap flag was passed then call the wrap atoms command
if(wrap_flag) call wrap_atoms
!Check to make sure a file was passed to be written out and then write out
! Before building do a check on the file
if (outfilenum == 0) then