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

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Alex 2020-01-29 10:25:33 -05:00
parent 636ae9421b
commit dc42b7b925
11 changed files with 55 additions and 46 deletions
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11
src/opt_disl.f90
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@ -47,8 +47,8 @@ module opt_disl
integer, intent(inout) :: arg_pos
integer :: i,arglen
character(len=8) :: ori_string
character(len=100) :: textholder
character(len=8) :: ori_string
!Parse all of the commands
arg_pos = arg_pos + 1
@ -180,6 +180,9 @@ module opt_disl
end do
end if
!Now make sure all atoms are wrapped back into the simulation cell
call wrap_atoms
end subroutine dislgen
subroutine parse_disloop(arg_pos)
@ -187,8 +190,7 @@ module opt_disl
integer, intent(inout) :: arg_pos
integer :: i,arglen, sbox
character(len=8) :: ori_string
integer :: i,arglen
character(len=100) :: textholder
!Parse all of the commands
@ -392,6 +394,9 @@ module opt_disl
end do
end do
return
!Now make sure all atoms are wrapped back into the simulation cell
call wrap_atoms
end subroutine
!********************************************************