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trans.f
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trans.f
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subroutine strans(system,isystem,move)
c---------------------------------------------------------
c move atoms acording to the site and kmc direction -
c move(1-3) : site indices -
c move(4) : direction -
c 11: split interstitial to move up | or / -
c 12: split interstitial to move up \ or | -
c 13: split interstitial to move up / or \ -
c 14: split interstitial to move down | or / -
c 15: split interstitial to move down \ or | -
c 16: split interstitial to move down / or \ -
c---------------------------------------------------------
integer*1 system(800,800,199),isystem(800,800,199)
integer move(4)
integer*2 atm1,atm2,atm3
i = move(1)
j = move(2)
k = move(3)
if(system(i,j,k).ne.9) then
write(*,*)'error in strans - not split site'
stop
end if
system(i,j,k) = 1
c*****move to upper layer
if(move(4).eq.11) then
c........if up
if(system(i,md(j+2),k).ne.0) then
c-----split at alpha site goes to grafted at same site
if(isystem(i,j,k).eq.8) then
isystem(i,j,k) = 11
else if(isystem(i,j,k).eq.0) then
c-----split at beta site goes to grafted at neighbouring site
isystem(i,md(j+2),k) = 14
else
write(*,*)'error in strans 11 up'
stop
end if
c........if down
else
c-----split at alpha site goes to grafted at same site
if(isystem(i,j,k).eq.8) then
isystem(i,j,k) = 12
else if(isystem(i,j,k).eq.0) then
c-----split at beta site goes to grafted at neighbouring site
isystem(mb(i+1),md(j+1),k) = 15
else
write(*,*)'error in strans 11 down'
stop
end if
end if
else if(move(4).eq.12) then
c........if up
if(system(i,md(j+2),k).ne.0) then
c-----split at alpha site goes to grafted at same site
if(isystem(i,j,k).eq.8) then
isystem(i,j,k) = 13
else if(isystem(i,j,k).eq.0) then
c-----split at beta site goes to grafted at neighbouring site
isystem(mb(i+1),md(j-1),k) = 16
else
write(*,*)'error in strans 12 up'
stop
end if
c........if down
else
c-----split at alpha site goes to grafted at same site
if(isystem(i,j,k).eq.8) then
isystem(i,j,k) = 14
else if(isystem(i,j,k).eq.0) then
c-----split at beta site goes to grafted at neighbouring site
isystem(i,md(j-2),k) = 11
else
write(*,*)'error in strans 12 down'
stop
end if
end if
else if(move(4).eq.13) then
c........if up
if(system(i,md(j+2),k).ne.0) then
c-----split at alpha site goes to grafted at same site
if(isystem(i,j,k).eq.8) then
isystem(i,j,k) = 15
else if(isystem(i,j,k).eq.0) then
c-----split at beta site goes to grafted at neighbouring site
isystem(mb(i-1),md(j-1),k) = 12
else
write(*,*)'error in strans 13 up'
stop
end if
c........if down
else
c-----split at alpha site goes to grafted at same site
if(isystem(i,j,k).eq.8) then
isystem(i,j,k) = 16
else if(isystem(i,j,k).eq.0) then
c-----split at beta site goes to grafted at neighbouring site
isystem(mb(i-1),md(j+1),k) = 13
else
write(*,*)'error in strans 13 down'
stop
end if
end if
c*******move to lower layer
else if(move(4).eq.14) then
c........if up
if(system(i,md(j+2),k).ne.0) then
c-----split at alpha site goes to grafted at same site
if(isystem(i,j,ml(k-1)).eq.8) then
isystem(i,j,ml(k-1)) = 21
else if(isystem(i,j,ml(k-1)).eq.0) then
c-----split at beta site goes to grafted at neighbouring site
isystem(i,md(j+2),ml(k-1)) = 24
else
write(*,*)'error in strans 14 up'
stop
end if
c........if down
else
c-----split at alpha site goes to grafted at same site
if(isystem(i,j,ml(k-1)).eq.8) then
isystem(i,j,ml(k-1)) = 22
else if(isystem(i,j,ml(k-1)).eq.0) then
c-----split at beta site goes to grafted at neighbouring site
isystem(mb(i+1),md(j+1),ml(k-1)) = 25
else
write(*,*)'error in strans 14 down'
stop
end if
end if
else if(move(4).eq.15) then
c........if up
if(system(i,md(j+2),k).ne.0) then
c-----split at alpha site goes to grafted at same site
if(isystem(i,j,ml(k-1)).eq.8) then
isystem(i,j,ml(k-1)) = 23
else if(isystem(i,j,ml(k-1)).eq.0) then
c-----split at beta site goes to grafted at neighbouring site
isystem(mb(i+1),md(j-1),ml(k-1)) = 26
else
write(*,*)'error in strans 15 up'
stop
end if
c........if down
else
c-----split at alpha site goes to grafted at same site
if(isystem(i,j,ml(k-1)).eq.8) then
isystem(i,j,ml(k-1)) = 24
else if(isystem(i,j,ml(k-1)).eq.0) then
c-----split at beta site goes to grafted at neighbouring site
isystem(i,md(j-2),ml(k-1)) = 21
else
write(*,*)'error in strans 15 down'
stop
end if
end if
else if(move(4).eq.16) then
c........if up
if(system(i,md(j+2),k).ne.0) then
c-----split at alpha site goes to grafted at same site
if(isystem(i,j,ml(k-1)).eq.8) then
isystem(i,j,ml(k-1)) = 25
else if(isystem(i,j,ml(k-1)).eq.0) then
c-----split at beta site goes to grafted at neighbouring site
isystem(mb(i-1),md(j-1),ml(k-1)) = 22
else
write(*,*)'error in strans 16 up'
stop
end if
c........if down
else
c-----split at alpha site goes to grafted at same site
if(isystem(i,j,ml(k-1)).eq.8) then
isystem(i,j,ml(k-1)) = 26
else if(isystem(i,j,ml(k-1)).eq.0) then
c-----split at beta site goes to grafted at neighbouring site
isystem(mb(i-1),md(j+1),ml(k-1)) = 23
else
write(*,*)'error in strans 16 down'
stop
end if
end if
end if
end
subroutine itrans(system,isystem,move)
c---------------------------------------------------------
c move atoms acording to the site and kmc direction -
c move(1-3) : site indices -
c move(4) : direction -
c 21: interstitial to move clockwise -
c 22: interstitial to move anti-clockwise -
c 23: interstitial to move to neighbouring alpha -
c 24: grafted to move to spiro -
c sprio to move up grafted -
c 25: grafted to move to local alpha split -
c spiro to move down grafted -
c 26: grafted to move to non-local beta split -
c spiro to close intimate pair -
c---------------------------------------------------------
integer*1 system(800,800,199),isystem(800,800,199)
integer move(4)
logical up
i = move(1)
j = move(2)
k = move(3)
c*****spiro
if(isystem(i,j,k).ge.1 .and.isystem(i,j,k).le.6) then
if(move(4).eq.21) then
isystem(i,j,k) = isystem(i,j,k) + 1
if(isystem(i,j,k).gt.6) then
isystem(i,j,k) = isystem(i,j,k) - 6
end if
else if(move(4).eq.22) then
isystem(i,j,k) = isystem(i,j,k) - 1
if(isystem(i,j,k).lt.1) then
isystem(i,j,k) = isystem(i,j,k) + 6
end if
else if(move(4).eq.23) then
if(isystem(i,j,k).eq.1) then
if(isystem(mb(i+1),md(j+3),k).eq.8) then
isystem(mb(i+1),md(j+3),k) = 4
else
write(*,*)'error in itrans spiro 23 1'
stop
end if
else if(isystem(i,j,k).eq.2) then
if(isystem(mb(i+2),j,k).eq.8) then
isystem(mb(i+2),j,k) = 5
else
write(*,*)'error in itrans spiro 23 2'
stop
end if
else if(isystem(i,j,k).eq.3) then
if(isystem(mb(i+1),md(j-3),k).eq.8) then
isystem(mb(i+1),md(j-3),k) = 6
else
write(*,*)'error in itrans spiro 23 3'
stop
end if
elseif(isystem(i,j,k).eq.4) then
if(isystem(mb(i-1),md(j-3),k).eq.8) then
isystem(mb(i-1),md(j-3),k) = 1
else
write(*,*)'error in itrans spiro 23 4'
stop
end if
else if(isystem(i,j,k).eq.5) then
if(isystem(mb(i-2),j,k).eq.8) then
isystem(mb(i-2),j,k) = 2
else
write(*,*)'error in itrans spiro 23 5'
stop
end if
else if(isystem(i,j,k).eq.6) then
if(isystem(mb(i-1),md(j+3),k).eq.8) then
isystem(mb(i-1),md(j+3),k) = 3
else
write(*,*)'error in itrans spiro 23 6'
stop
end if
end if
isystem(i,j,k) = 8
else if(move(4).eq.24) then
if(system(i,md(j+2),ml(k+1)).ne.0) then
if(isystem(i,j,k).eq.1 .or. isystem(i,j,k).eq.6) then
isystem(i,j,k) = 21
else if(isystem(i,j,k).eq.2 .or. isystem(i,j,k).eq.3)then
isystem(i,j,k) = 23
else if(isystem(i,j,k).eq.4 .or. isystem(i,j,k).eq.5)then
isystem(i,j,k) = 25
end if
else
if(isystem(i,j,k).eq.1 .or. isystem(i,j,k).eq.2) then
isystem(i,j,k) = 22
else if(isystem(i,j,k).eq.3 .or. isystem(i,j,k).eq.4)then
isystem(i,j,k) = 24
else if(isystem(i,j,k).eq.5 .or. isystem(i,j,k).eq.6)then
isystem(i,j,k) = 26
end if
end if
else if(move(4).eq.25) then
if(system(i,md(j+2),k).ne.0) then
if(isystem(i,j,k).eq.1 .or. isystem(i,j,k).eq.6) then
isystem(i,j,k) = 11
else if(isystem(i,j,k).eq.2 .or. isystem(i,j,k).eq.3)then
isystem(i,j,k) = 13
else if(isystem(i,j,k).eq.4 .or. isystem(i,j,k).eq.5)then
isystem(i,j,k) = 15
end if
else
if(isystem(i,j,k).eq.1 .or. isystem(i,j,k).eq.2) then
isystem(i,j,k) = 12
else if(isystem(i,j,k).eq.3 .or. isystem(i,j,k).eq.4)then
isystem(i,j,k) = 14
else if(isystem(i,j,k).eq.5 .or. isystem(i,j,k).eq.6)then
isystem(i,j,k) = 16
end if
end if
else if(move(4).eq.26) then
c-----------close frenkel close
if(system(i,j,k).eq.2) then
system(i,j,k) = 1
c - - - - - - -close interlayer divac
if(system(i,md(j+2),k).eq.5) then
system(i,md(j+2),k) = 1
if(system(i,md(j+2),ml(k+1)).eq.6) then
system(i,md(j+2),ml(k+1)) = 1
go to 333
end if
up = .true.
else if(system(mb(i+1),md(j+1),k).eq.5) then
system(mb(i+1),md(j+1),k) = 1
if(system(mb(i+1),md(j+1),ml(k+1)).eq.6) then
system(mb(i+1),md(j+1),ml(k+1)) = 1
go to 333
end if
up = .false.
else if(system(mb(i+1),md(j-1),k).eq.5) then
system(mb(i+1),md(j-1),k) = 1
if(system(mb(i+1),md(j-1),ml(k+1)).eq.6) then
system(mb(i+1),md(j-1),ml(k+1)) = 1
go to 333
end if
up = .true.
else if(system(i,md(j-2),k).eq.5) then
system(i,md(j-2),k) = 1
if(system(i,md(j-2),ml(k+1)).eq.6) then
system(i,md(j-2),ml(k+1)) = 1
go to 333
end if
up = .false.
else if(system(mb(i-1),md(j-1),k).eq.5) then
system(mb(i-1),md(j-1),k) = 1
if(system(mb(i-1),md(j-1),ml(k+1)).eq.6) then
system(mb(i-1),md(j-1),ml(k+1)) = 1
go to 333
end if
up = .true.
else if(system(mb(i-1),md(j+1),k).eq.5) then
system(mb(i-1),md(j+1),k) = 1
if(system(mb(i-1),md(j+1),ml(k+1)).eq.6) then
system(mb(i-1),md(j+1),ml(k+1)) = 1
go to 333
end if
up = .false.
else
go to 501
end if
if(up) then
if(system(i,md(j+4),ml(k+1)).eq.6) then
system(i,md(j+4),ml(k+1)) = 1
else if(system(mb(i+2),md(j-2),ml(k+1)).eq.6) then
system(mb(i+2),md(j-2),ml(k+1)) = 1
else if(system(mb(i-2),md(j-2),ml(k+1)).eq.6) then
system(mb(i-2),md(j-2),ml(k+1)) = 1
else
write(*,*)'error in move 26 - 1 - 1'
end if
go to 333
else
if(system(i,md(j-4),ml(k+1)).eq.6) then
system(i,md(j-4),ml(k+1)) = 1
else if(system(mb(i-2),md(j+2),ml(k+1)).eq.6) then
system(mb(i-2),md(j+2),ml(k+1)) = 1
else if(system(mb(i+2),md(j+2),ml(k+1)).eq.6) then
system(mb(i+2),md(j+2),ml(k+1)) = 1
else
write(*,*)'error in move 26 - 1 - 2'
end if
go to 333
end if
501 if(system(i,md(j+2),k).eq.6) then
system(i,md(j+2),k) = 1
if(system(i,md(j+2),ml(k-1)).eq.5) then
system(i,md(j+2),ml(k-1)) = 1
go to 333
end if
up = .true.
else if(system(mb(i+1),md(j+1),k).eq.6) then
system(mb(i+1),md(j+1),k) = 1
if(system(mb(i+1),md(j+1),ml(k-1)).eq.5) then
system(mb(i+1),md(j+1),ml(k-1)) = 1
go to 333
end if
up = .false.
else if(system(mb(i+1),md(j-1),k).eq.6) then
system(mb(i+1),md(j-1),k) = 1
if(system(mb(i+1),md(j-1),ml(k-1)).eq.5) then
system(mb(i+1),md(j-1),ml(k-1)) = 1
go to 333
end if
up = .true.
else if(system(i,md(j-2),k).eq.6) then
system(i,md(j-2),k) = 1
if(system(i,md(j-2),ml(k-1)).eq.5) then
system(i,md(j-2),ml(k-1)) = 1
go to 333
end if
up = .false.
else if(system(mb(i-1),md(j-1),k).eq.6) then
system(mb(i-1),md(j-1),k) = 1
if(system(mb(i-1),md(j-1),ml(k-1)).eq.5) then
system(mb(i-1),md(j-1),ml(k-1)) = 1
go to 333
end if
up = .true.
else if(system(mb(i-1),md(j+1),k).eq.6) then
system(mb(i-1),md(j+1),k) = 1
if(system(mb(i-1),md(j+1),ml(k-1)).eq.5) then
system(mb(i-1),md(j+1),ml(k-1)) = 1
go to 333
end if
up = .false.
else
go to 333
end if
if(up) then
if(system(i,md(j+4),ml(k-1)).eq.5) then
system(i,md(j+4),ml(k-1)) = 1
else if(system(mb(i+2),md(j-2),ml(k-1)).eq.5) then
system(mb(i+2),md(j-2),ml(k-1)) = 1
else if(system(mb(i-2),md(j-2),ml(k-1)).eq.5) then
system(mb(i-2),md(j-2),ml(k-1)) = 1
else
write(*,*)'error in move 26 - 2 - 1'
end if
go to 333
else
if(system(i,md(j-4),ml(k-1)).eq.5) then
system(i,md(j-4),ml(k-1)) = 1
else if(system(mb(i-2),md(j+2),ml(k-1)).eq.5) then
system(mb(i-2),md(j+2),ml(k-1)) = 1
else if(system(mb(i+2),md(j+2),ml(k-1)).eq.5) then
system(mb(i+2),md(j+2),ml(k-1)) = 1
else
write(*,*)'error in move 26 - 2 - 2'
end if
go to 333
end if
else if(system(i,j,ml(k+1)).eq.2) then
system(i,j,ml(k+1)) = 1
c - - - - - - -close interlayer divac
if(system(i,md(j+2),ml(k+1)).eq.5) then
system(i,md(j+2),ml(k+1)) = 1
if(system(i,md(j+2),ml(k+2)).eq.6) then
system(i,md(j+2),ml(k+2)) = 1
go to 333
end if
up = .true.
else if(system(mb(i+1),md(j+1),ml(k+1)).eq.5) then
system(mb(i+1),md(j+1),ml(k+1)) = 1
if(system(mb(i+1),md(j+1),ml(k+2)).eq.6) then
system(mb(i+1),md(j+1),ml(k+2)) = 1
go to 333
end if
up = .false.
else if(system(mb(i+1),md(j-1),ml(k+1)).eq.5) then
system(mb(i+1),md(j-1),ml(k+1)) = 1
if(system(mb(i+1),md(j-1),ml(k+2)).eq.6) then
system(mb(i+1),md(j-1),ml(k+2)) = 1
go to 333
end if
up = .true.
else if(system(i,md(j-2),ml(k+1)).eq.5) then
system(i,md(j-2),ml(k+1)) = 1
if(system(i,md(j-2),ml(k+2)).eq.6) then
system(i,md(j-2),ml(k+2)) = 1
go to 333
end if
up = .false.
else if(system(mb(i-1),md(j-1),ml(k+1)).eq.5) then
system(mb(i-1),md(j-1),ml(k+1)) = 1
if(system(mb(i-1),md(j-1),ml(k+2)).eq.6) then
system(mb(i-1),md(j-1),ml(k+2)) = 1
go to 333
end if
up = .true.
else if(system(mb(i-1),md(j+1),ml(k+1)).eq.5) then
system(mb(i-1),md(j+1),ml(k+1)) = 1
if(system(mb(i-1),md(j+1),ml(k+2)).eq.6) then
system(mb(i-1),md(j+1),ml(k+2)) = 1
go to 333
end if
up = .false.
else
go to 502
end if
if(up) then
if(system(i,md(j+4),ml(k+2)).eq.6) then
system(i,md(j+4),ml(k+2)) = 1
else if(system(mb(i+2),md(j-2),ml(k+2)).eq.6) then
system(mb(i+2),md(j-2),ml(k+2)) = 1
else if(system(mb(i-2),md(j-2),ml(k+2)).eq.6) then
system(mb(i-2),md(j-2),ml(k+2)) = 1
else
write(*,*)'error in move 26 - 3 - 1'
end if
go to 333
else
if(system(i,md(j-4),ml(k+2)).eq.6) then
system(i,md(j-4),ml(k+2)) = 1
else if(system(mb(i-2),md(j+2),ml(k+2)).eq.6) then
system(mb(i-2),md(j+2),ml(k+2)) = 1
else if(system(mb(i+2),md(j+2),ml(k+2)).eq.6) then
system(mb(i+2),md(j+2),ml(k+2)) = 1
else
write(*,*)'error in move 26 - 3 - 2'
end if
go to 333
end if
502 if(system(i,md(j+2),ml(k+1)).eq.6) then
system(i,md(j+2),ml(k+1)) = 1
if(system(i,md(j+2),ml(k)).eq.5) then
system(i,md(j+2),ml(k)) = 1
go to 333
end if
up = .true.
else if(system(mb(i+1),md(j+1),ml(k+1)).eq.6) then
system(mb(i+1),md(j+1),ml(k+1)) = 1
if(system(mb(i+1),md(j+1),ml(k)).eq.5) then
system(mb(i+1),md(j+1),ml(k)) = 1
go to 333
end if
up = .false.
else if(system(mb(i+1),md(j-1),ml(k+1)).eq.6) then
system(mb(i+1),md(j-1),ml(k+1)) = 1
if(system(mb(i+1),md(j-1),ml(k)).eq.5) then
system(mb(i+1),md(j-1),ml(k)) = 1
go to 333
end if
up = .true.
else if(system(i,md(j-2),ml(k+1)).eq.6) then
system(i,md(j-2),ml(k+1)) = 1
if(system(i,md(j-2),ml(k)).eq.5) then
system(i,md(j-2),ml(k)) = 1
go to 333
end if
up = .false.
else if(system(mb(i-1),md(j-1),ml(k+1)).eq.6) then
system(mb(i-1),md(j-1),ml(k+1)) = 1
if(system(mb(i-1),md(j-1),ml(k)).eq.5) then
system(mb(i-1),md(j-1),ml(k)) = 1
go to 333
end if
up = .true.
else if(system(mb(i-1),md(j+1),ml(k+1)).eq.6) then
system(mb(i-1),md(j+1),ml(k+1)) = 1
if(system(mb(i-1),md(j+1),ml(k)).eq.5) then
system(mb(i-1),md(j+1),ml(k)) = 1
go to 333
end if
up = .false.
else
go to 333
end if
if(up) then
if(system(i,md(j+4),ml(k)).eq.5) then
system(i,md(j+4),ml(k)) = 1
else if(system(mb(i+2),md(j-2),ml(k)).eq.5) then
system(mb(i+2),md(j-2),ml(k)) = 1
else if(system(mb(i-2),md(j-2),ml(k)).eq.5) then
system(mb(i-2),md(j-2),ml(k)) = 1
else
write(*,*)'error in move 26 - 4 - 1'
end if
go to 333
else
if(system(i,md(j-4),ml(k)).eq.5) then
system(i,md(j-4),ml(k)) = 1
else if(system(mb(i-2),md(j+2),ml(k)).eq.5) then
system(mb(i-2),md(j+2),ml(k)) = 1
else if(system(mb(i+2),md(j+2),ml(k)).eq.5) then
system(mb(i+2),md(j+2),ml(k)) = 1
else
write(*,*)'error in move 26 - 4 - 2'
end if
go to 333
end if
c..............intimate dir 1
else if(system(i,md(j+2),k).eq.2) then
system(i,md(j+2),k) = 1
c - - - - - - -close interlayer divac
if(system(i,md(j+2+2),k).eq.5) then
system(i,md(j+2+2),k) = 1
if(system(i,md(j+2+2),ml(k+1)).eq.6) then
system(i,md(j+2+2),ml(k+1)) = 1
go to 333
end if
up = .true.
else if(system(mb(i+1),md(j+1+2),k).eq.5) then
system(mb(i+1),md(j+1+2),k) = 1
if(system(mb(i+1),md(j+1+2),ml(k+1)).eq.6) then
system(mb(i+1),md(j+1+2),ml(k+1)) = 1
go to 333
end if
up = .false.
else if(system(mb(i+1),md(j-1+2),k).eq.5) then
system(mb(i+1),md(j-1+2),k) = 1
if(system(mb(i+1),md(j-1+2),ml(k+1)).eq.6) then
system(mb(i+1),md(j-1+2),ml(k+1)) = 1
go to 333
end if
up = .true.
else if(system(i,md(j-2+2),k).eq.5) then
system(i,md(j-2+2),k) = 1
if(system(i,md(j-2+2),ml(k+1)).eq.6) then
system(i,md(j-2+2),ml(k+1)) = 1
go to 333
end if
up = .false.
else if(system(mb(i-1),md(j-1+2),k).eq.5) then
system(mb(i-1),md(j-1+2),k) = 1
if(system(mb(i-1),md(j-1+2),ml(k+1)).eq.6) then
system(mb(i-1),md(j-1+2),ml(k+1)) = 1
go to 333
end if
up = .true.
else if(system(mb(i-1),md(j+1+2),k).eq.5) then
system(mb(i-1),md(j+1+2),k) = 1
if(system(mb(i-1),md(j+1+2),ml(k+1)).eq.6) then
system(mb(i-1),md(j+1+2),ml(k+1)) = 1
go to 333
end if
up = .false.
else
go to 503
end if
if(up) then
if(system(i,md(j+4+2),ml(k+1)).eq.6) then
system(i,md(j+4+2),ml(k+1)) = 1
else if(system(mb(i+2),md(j-2+2),ml(k+1)).eq.6) then
system(mb(i+2),md(j-2+2),ml(k+1)) = 1
else if(system(mb(i-2),md(j-2+2),ml(k+1)).eq.6) then
system(mb(i-2),md(j-2+2),ml(k+1)) = 1
else
write(*,*)'error in move 26 - 5 - 1'
end if
go to 333
else
if(system(i,md(j-4+2),ml(k+1)).eq.6) then
system(i,md(j-4+2),ml(k+1)) = 1
else if(system(mb(i-2),md(j+2+2),ml(k+1)).eq.6) then
system(mb(i-2),md(j+2+2),ml(k+1)) = 1
else if(system(mb(i+2),md(j+2+2),ml(k+1)).eq.6) then
system(mb(i+2),md(j+2+2),ml(k+1)) = 1
else
write(*,*)'error in move 26 - 5 - 2'
end if
go to 333
end if
503 if(system(i,md(j+2+2),k).eq.6) then
system(i,md(j+2+2),k) = 1
if(system(i,md(j+2+2),ml(k-1)).eq.5) then
system(i,md(j+2+2),ml(k-1)) = 1
go to 333
end if
up = .true.
else if(system(mb(i+1),md(j+1+2),k).eq.6) then
system(mb(i+1),md(j+1+2),k) = 1
if(system(mb(i+1),md(j+1+2),ml(k-1)).eq.5) then
system(mb(i+1),md(j+1+2),ml(k-1)) = 1
go to 333
end if
up = .false.
else if(system(mb(i+1),md(j-1+2),k).eq.6) then
system(mb(i+1),md(j-1+2),k) = 1
if(system(mb(i+1),md(j-1+2),ml(k-1)).eq.5) then
system(mb(i+1),md(j-1+2),ml(k-1)) = 1
go to 333
end if
up = .true.
else if(system(i,md(j-2+2),k).eq.6) then
system(i,md(j-2+2),k) = 1
if(system(i,md(j-2+2),ml(k-1)).eq.5) then
system(i,md(j-2+2),ml(k-1)) = 1
go to 333
end if
up = .false.
else if(system(mb(i-1),md(j-1+2),k).eq.6) then
system(mb(i-1),md(j-1+2),k) = 1
if(system(mb(i-1),md(j-1+2),ml(k-1)).eq.5) then
system(mb(i-1),md(j-1+2),ml(k-1)) = 1
go to 333
end if
up = .true.
else if(system(mb(i-1),md(j+1+2),k).eq.6) then
system(mb(i-1),md(j+1+2),k) = 1
if(system(mb(i-1),md(j+1+2),ml(k-1)).eq.5) then
system(mb(i-1),md(j+1+2),ml(k-1)) = 1
go to 333
end if
up = .false.
else
go to 333
end if
if(up) then
if(system(i,md(j+4+2),ml(k-1)).eq.5) then
system(i,md(j+4+2),ml(k-1)) = 1
else if(system(mb(i+2),md(j-2+2),ml(k-1)).eq.5) then
system(mb(i+2),md(j-2+2),ml(k-1)) = 1
else if(system(mb(i-2),md(j-2+2),ml(k-1)).eq.5) then
system(mb(i-2),md(j-2+2),ml(k-1)) = 1
else
write(*,*)'error in move 26 - 6 - 1'
end if
go to 333
else
if(system(i,md(j-4+2),ml(k-1)).eq.5) then
system(i,md(j-4+2),ml(k-1)) = 1
else if(system(mb(i-2),md(j+2+2),ml(k-1)).eq.5) then
system(mb(i-2),md(j+2+2),ml(k-1)) = 1
else if(system(mb(i+2),md(j+2+2),ml(k-1)).eq.5) then
system(mb(i+2),md(j+2+2),ml(k-1)) = 1
else
write(*,*)'error in move 26 - 6 - 2'
end if
go to 333
end if
else if(system(i,md(j+2),ml(k+1)).eq.2) then
system(i,md(j+2),ml(k+1)) = 1
c - - - - - - -close interlayer divac
if(system(i,md(j+2+2),ml(k+1)).eq.5) then
system(i,md(j+2+2),ml(k+1)) = 1
if(system(i,md(j+2+2),ml(k+2)).eq.6) then
system(i,md(j+2+2),ml(k+2)) = 1
go to 333
end if
up = .true.
else if(system(mb(i+1),md(j+1+2),ml(k+1)).eq.5) then
system(mb(i+1),md(j+1+2),ml(k+1)) = 1
if(system(mb(i+1),md(j+1+2),ml(k+2)).eq.6) then
system(mb(i+1),md(j+1+2),ml(k+2)) = 1
go to 333
end if
up = .false.
else if(system(mb(i+1),md(j-1+2),ml(k+1)).eq.5) then
system(mb(i+1),md(j-1+2),ml(k+1)) = 1
if(system(mb(i+1),md(j-1+2),ml(k+2)).eq.6) then
system(mb(i+1),md(j-1+2),ml(k+2)) = 1
go to 333
end if
up = .true.
else if(system(i,md(j-2+2),ml(k+1)).eq.5) then
system(i,md(j-2+2),ml(k+1)) = 1
if(system(i,md(j-2+2),ml(k+2)).eq.6) then
system(i,md(j-2+2),ml(k+2)) = 1
go to 333
end if
up = .false.
else if(system(mb(i-1),md(j-1+2),ml(k+1)).eq.5) then
system(mb(i-1),md(j-1+2),ml(k+1)) = 1
if(system(mb(i-1),md(j-1+2),ml(k+2)).eq.6) then
system(mb(i-1),md(j-1+2),ml(k+2)) = 1
go to 333
end if
up = .true.
else if(system(mb(i-1),md(j+1+2),ml(k+1)).eq.5) then
system(mb(i-1),md(j+1+2),ml(k+1)) = 1
if(system(mb(i-1),md(j+1+2),ml(k+2)).eq.6) then
system(mb(i-1),md(j+1+2),ml(k+2)) = 1
go to 333
end if
up = .false.
else
go to 504
end if
if(up) then
if(system(i,md(j+4+2),ml(k+2)).eq.6) then
system(i,md(j+4+2),ml(k+2)) = 1
else if(system(mb(i+2),md(j-2+2),ml(k+2)).eq.6) then
system(mb(i+2),md(j-2+2),ml(k+2)) = 1
else if(system(mb(i-2),md(j-2+2),ml(k+2)).eq.6) then
system(mb(i-2),md(j-2+2),ml(k+2)) = 1
else
write(*,*)'error in move 26 - 3 - 1'
end if
go to 333
else
if(system(i,md(j-4+2),ml(k+2)).eq.6) then
system(i,md(j-4+2),ml(k+2)) = 1
else if(system(mb(i-2),md(j+2+2),ml(k+2)).eq.6) then
system(mb(i-2),md(j+2+2),ml(k+2)) = 1
else if(system(mb(i+2),md(j+2+2),ml(k+2)).eq.6) then
system(mb(i+2),md(j+2+2),ml(k+2)) = 1
else
write(*,*)'error in move 26 - 3 - 2'
end if
go to 333
end if
504 if(system(i,md(j+2+2),ml(k+1)).eq.6) then
system(i,md(j+2+2),ml(k+1)) = 1
if(system(i,md(j+2+2),ml(k)).eq.5) then
system(i,md(j+2+2),ml(k)) = 1
go to 333
end if
up = .true.
else if(system(mb(i+1),md(j+1+2),ml(k+1)).eq.6) then
system(mb(i+1),md(j+1+2),ml(k+1)) = 1
if(system(mb(i+1),md(j+1+2),ml(k)).eq.5) then
system(mb(i+1),md(j+1+2),ml(k)) = 1
go to 333
end if
up = .false.
else if(system(mb(i+1),md(j-1+2),ml(k+1)).eq.6) then
system(mb(i+1),md(j-1+2),ml(k+1)) = 1
if(system(mb(i+1),md(j-1+2),ml(k)).eq.5) then
system(mb(i+1),md(j-1+2),ml(k)) = 1
go to 333
end if
up = .true.
else if(system(i,md(j-2+2),ml(k+1)).eq.6) then
system(i,md(j-2+2),ml(k+1)) = 1
if(system(i,md(j-2+2),ml(k)).eq.5) then
system(i,md(j-2+2),ml(k)) = 1
go to 333
end if
up = .false.
else if(system(mb(i-1),md(j-1+2),ml(k+1)).eq.6) then
system(mb(i-1),md(j-1+2),ml(k+1)) = 1
if(system(mb(i-1),md(j-1+2),ml(k)).eq.5) then
system(mb(i-1),md(j-1+2),ml(k)) = 1
go to 333
end if
up = .true.
else if(system(mb(i-1),md(j+1+2),ml(k+1)).eq.6) then
system(mb(i-1),md(j+1+2),ml(k+1)) = 1
if(system(mb(i-1),md(j+1+2),ml(k)).eq.5) then
system(mb(i-1),md(j+1+2),ml(k)) = 1
go to 333
end if
up = .false.
else
go to 333
end if
if(up) then
if(system(i,md(j+4+2),ml(k)).eq.5) then
system(i,md(j+4+2),ml(k)) = 1
else if(system(mb(i+2),md(j-2+2),ml(k)).eq.5) then
system(mb(i+2),md(j-2+2),ml(k)) = 1
else if(system(mb(i-2),md(j-2+2),ml(k)).eq.5) then
system(mb(i-2),md(j-2+2),ml(k)) = 1
else
write(*,*)'error in move 26 - 4 - 1'
end if
go to 333
else
if(system(i,md(j-4+2),ml(k)).eq.5) then
system(i,md(j-4+2),ml(k)) = 1
else if(system(mb(i-2),md(j+2+2),ml(k)).eq.5) then
system(mb(i-2),md(j+2+2),ml(k)) = 1
else if(system(mb(i+2),md(j+2+2),ml(k)).eq.5) then
system(mb(i+2),md(j+2+2),ml(k)) = 1
else
write(*,*)'error in move 26 - 4 - 2'
end if
go to 333
end if
c..............intimate dir 2
else if(system(mb(i+1),md(j+1),k).eq.2) then
system(mb(i+1),md(j+1),k) = 1
c - - - - - - -close interlayer divac
if(system(mb(i+1),md(j+2+1),k).eq.5) then
system(mb(i+1),md(j+2+1),k) = 1
if(system(mb(i+1),md(j+2+1),ml(k+1)).eq.6) then
system(mb(i+1),md(j+2+1),ml(k+1)) = 1
go to 333
end if
up = .true.
else if(system(mb(i+1+1),md(j+1+1),k).eq.5) then
system(mb(i+1+1),md(j+1+1),k) = 1
if(system(mb(i+1+1),md(j+1+1),ml(k+1)).eq.6) then
system(mb(i+1+1),md(j+1+1),ml(k+1)) = 1
go to 333
end if
up = .false.
else if(system(mb(i+1+1),md(j-1+1),k).eq.5) then
system(mb(i+1+1),md(j-1+1),k) = 1
if(system(mb(i+1+1),md(j-1+1),ml(k+1)).eq.6) then
system(mb(i+1+1),md(j-1+1),ml(k+1)) = 1
go to 333
end if
up = .true.
else if(system(mb(i+1),md(j-2+1),k).eq.5) then
system(mb(i+1),md(j-2+1),k) = 1
if(system(mb(i+1),md(j-2+1),ml(k+1)).eq.6) then
system(mb(i+1),md(j-2+1),ml(k+1)) = 1
go to 333
end if
up = .false.
else if(system(mb(i-1+1),md(j-1+1),k).eq.5) then
system(mb(i-1+1),md(j-1+1),k) = 1
if(system(mb(i-1+1),md(j-1+1),ml(k+1)).eq.6) then
system(mb(i-1+1),md(j-1+1),ml(k+1)) = 1
go to 333
end if
up = .true.
else if(system(mb(i-1+1),md(j+1+1),k).eq.5) then
system(mb(i-1+1),md(j+1+1),k) = 1
if(system(mb(i-1+1),md(j+1+1),ml(k+1)).eq.6) then
system(mb(i-1+1),md(j+1+1),ml(k+1)) = 1
go to 333
end if
up = .false.
else
go to 505
end if
if(up) then
if(system(mb(i+1),md(j+4+1),ml(k+1)).eq.6) then
system(mb(i+1),md(j+4+1),ml(k+1)) = 1
else if(system(mb(i+2+1),md(j-2+1),ml(k+1)).eq.6) then
system(mb(i+2+1),md(j-2+1),ml(k+1)) = 1
else if(system(mb(i-2+1),md(j-2+1),ml(k+1)).eq.6) then
system(mb(i-2+1),md(j-2+1),ml(k+1)) = 1
else
write(*,*)'error in move 26 - 1 - 1'
end if
go to 333
else
if(system(mb(i+1),md(j-4+1),ml(k+1)).eq.6) then
system(mb(i+1),md(j-4+1),ml(k+1)) = 1
else if(system(mb(i-2+1),md(j+2+1),ml(k+1)).eq.6) then
system(mb(i-2+1),md(j+2+1),ml(k+1)) = 1
else if(system(mb(i+2+1),md(j+2+1),ml(k+1)).eq.6) then
system(mb(i+2+1),md(j+2+1),ml(k+1)) = 1
else
write(*,*)'error in move 26 - 1 - 2'
end if
go to 333
end if
505 if(system(mb(i+1),md(j+2+1),k).eq.6) then
system(mb(i+1),md(j+2+1),k) = 1
if(system(mb(i+1),md(j+2+1),ml(k-1)).eq.5) then
system(mb(i+1),md(j+2+1),ml(k-1)) = 1
go to 333
end if