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root/group/trunk/OOPSE-4/src/UseTheForce/DarkSide/sticky.F90
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Comparing trunk/OOPSE-4/src/UseTheForce/DarkSide/sticky.F90 (file contents):
Revision 2355 by chuckv, Wed Oct 12 18:59:16 2005 UTC vs.
Revision 2717 by gezelter, Mon Apr 17 21:49:12 2006 UTC

# Line 50 | Line 50
50   !! @author Matthew Meineke
51   !! @author Christopher Fennell
52   !! @author J. Daniel Gezelter
53 < !! @version $Id: sticky.F90,v 1.15 2005-10-12 18:59:16 chuckv Exp $, $Date: 2005-10-12 18:59:16 $, $Name: not supported by cvs2svn $, $Revision: 1.15 $
53 > !! @version $Id: sticky.F90,v 1.18 2006-04-17 21:49:12 gezelter Exp $, $Date: 2006-04-17 21:49:12 $, $Name: not supported by cvs2svn $, $Revision: 1.18 $
54  
55   module sticky
56  
# Line 89 | Line 89 | module sticky
89    end type StickyList
90  
91    type(StickyList), dimension(:),allocatable :: StickyMap
92 +  logical, save :: hasStickyMap = .false.
93  
94   contains
95  
# Line 148 | Line 149 | contains
149         StickyMap(myATID)%rbig = StickyMap(myATID)%rup
150      endif
151  
152 +    hasStickyMap = .true.
153 +
154      return
155    end subroutine newStickyType
156  
# Line 206 | Line 209 | contains
209      integer :: id1, id2
210      integer :: me1, me2
211      real (kind=dp) :: w0, v0, v0p, rl, ru, rlp, rup, rbig
209 –
210 –    if (.not.allocated(StickyMap)) then
211 –       call handleError("sticky", "no StickyMap was present before first call of do_sticky_pair!")
212 –       return
213 –    end if
212  
213   #ifdef IS_MPI
214      me1 = atid_Row(atom1)
# Line 308 | Line 306 | contains
306         vpair = vpair + 0.5d0*(v0*s*w + v0p*sp*wp)
307         if (do_pot) then
308   #ifdef IS_MPI
309 <          pot_row(STICKY_POT,atom1) = pot_row(STICKY_POT,atom1) + 0.25d0*(v0*s*w + v0p*sp*wp)*sw
310 <          pot_col(STICKY_POT,atom2) = pot_col(STICKY_POT,atom2) + 0.25d0*(v0*s*w + v0p*sp*wp)*sw
309 >          pot_row(HB_POT,atom1) = pot_row(HB_POT,atom1) + 0.25d0*(v0*s*w + v0p*sp*wp)*sw
310 >          pot_col(HB_POT,atom2) = pot_col(HB_POT,atom2) + 0.25d0*(v0*s*w + v0p*sp*wp)*sw
311   #else
312            pot = pot + 0.5d0*(v0*s*w + v0p*sp*wp)*sw
313   #endif  
# Line 682 | Line 680 | contains
680        
681         if (do_pot) then
682   #ifdef IS_MPI
683 <         pot_row(atom1) = pot_row(atom1) + 0.25d0*(v0*s*w)*sw
684 <         pot_col(atom2) = pot_col(atom2) + 0.25d0*(v0*s*w)*sw
683 >         pot_row(HB_POT,atom1) = pot_row(HB_POT,atom1) + 0.25d0*(v0*s*w)*sw
684 >         pot_col(HB_POT,atom2) = pot_col(HB_POT,atom2) + 0.25d0*(v0*s*w)*sw
685   #else
686           pot = pot + 0.5d0*(v0*s*w)*sw
687   #endif  

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