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root/group/trunk/OOPSE-2.0/src/UseTheForce/DarkSide/sticky.F90
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Comparing trunk/OOPSE-2.0/src/UseTheForce/DarkSide/sticky.F90 (file contents):
Revision 2228 by chrisfen, Thu May 12 19:43:48 2005 UTC vs.
Revision 2229 by chrisfen, Tue May 17 22:35:01 2005 UTC

# Line 50 | Line 50
50   !! @author Matthew Meineke
51   !! @author Christopher Fennell
52   !! @author J. Daniel Gezelter
53 < !! @version $Id: sticky.F90,v 1.9 2005-05-12 19:43:48 chrisfen Exp $, $Date: 2005-05-12 19:43:48 $, $Name: not supported by cvs2svn $, $Revision: 1.9 $
53 > !! @version $Id: sticky.F90,v 1.10 2005-05-17 22:35:01 chrisfen Exp $, $Date: 2005-05-17 22:35:01 $, $Name: not supported by cvs2svn $, $Revision: 1.10 $
54  
55   module sticky
56  
# Line 550 | Line 550 | contains
550      integer :: me1, me2
551      real (kind=dp) :: w0, v0, v0p, rl, ru, rlp, rup, rbig
552      real (kind=dp) :: zi3, zi4, zi5, zj3, zj4, zj5
553 <    real (kind=dp) :: oSw1, oSw2, prodVal
553 >    real (kind=dp) :: frac1, frac2, prodVal
554      real (kind=dp) :: prei1, prei2, prei, prej1, prej2, prej
555      real (kind=dp) :: walt, walti, waltj, dwaltidx, dwaltidy, dwaltidz
556      real (kind=dp) :: dwaltjdx, dwaltjdy, dwaltjdz
# Line 608 | Line 608 | contains
608         rI4 = rI2*rI2
609         rI5 = rI3*rI2
610         rI6 = rI3*rI3
611 <       rI7 = rI5*rI2
611 >       rI7 = rI4*rI3
612                
613         drdx = d(1) * rI
614         drdy = d(2) * rI
# Line 664 | Line 664 | contains
664        
665         call calc_sw_fnc(rij, rl, ru, rlp, rup, s, sp, dsdr, dspdr)
666            
667 <       wi = 2.0d0*(xi2-yi2)*zi * rI3
668 <       wj = 2.0d0*(xj2-yj2)*zj * rI3
667 >       frac1 = 0.5d0
668 >       frac2 = 0.5d0
669        
670 +       wi = 2.0d0*(xi2-yi2)*zi*rI3
671 +       wj = 2.0d0*(xj2-yj2)*zj*rI3
672 +      
673   !       prodVal = zihat*zjhat
674   !       if (prodVal .ge. 0.0d0) then
675   !         wi = 0.0d0
# Line 676 | Line 679 | contains
679         wi2 = wi*wi
680         wj2 = wj*wj
681  
682 <       w = wi*wi2+wj*wj2
682 >       w = frac1*wi*wi2 + frac2*wi + wj*wj2
683  
684         zif = zihat - 0.6d0
685         zis = zihat + 0.8d0
# Line 706 | Line 709 | contains
709   #endif  
710         endif
711  
712 <       dwidx = 3.0d0*wi2*( 4.0d0*xi*zi*rI3 - 6.0d0*xi*zi*(xi2-yi2)*rI5 )
713 <       dwidy = 3.0d0*wi2*( -4.0d0*yi*zi*rI3 - 6.0d0*yi*zi*(xi2-yi2)*rI5 )
714 <       dwidz = 3.0d0*wi2*( 2.0d0*(xi2-yi2)*rI3 - 6.0d0*zi2*(xi2-yi2)*rI5 )
712 >       dwidx = ( 4.0d0*xi*zi*rI3 - 6.0d0*xi*zi*(xi2-yi2)*rI5 )
713 >       dwidy = ( -4.0d0*yi*zi*rI3 - 6.0d0*yi*zi*(xi2-yi2)*rI5 )
714 >       dwidz = ( 2.0d0*(xi2-yi2)*rI3 - 6.0d0*zi2*(xi2-yi2)*rI5 )
715 >      
716 >       dwidx = frac1*3.0d0*wi2*dwidx + frac2*dwidx
717 >       dwidy = frac1*3.0d0*wi2*dwidy + frac2*dwidy
718 >       dwidz = frac1*3.0d0*wi2*dwidz + frac2*dwidz
719  
720 <       dwjdx = 3.0d0*wj2*( 4.0d0*xj*zj*rI3  - 6.0d0*xj*zj*(xj2-yj2)*rI5 )
721 <       dwjdy = 3.0d0*wj2*( -4.0d0*yj*zj*rI3  - 6.0d0*yj*zj*(xj2-yj2)*rI5 )
722 <       dwjdz = 3.0d0*wj2*( 2.0d0*(xj2-yj2)*rI3  - 6.0d0*zj2*(xj2-yj2)*rI5 )
720 >       dwjdx = ( 4.0d0*xj*zj*rI3  - 6.0d0*xj*zj*(xj2-yj2)*rI5 )
721 >       dwjdy = ( -4.0d0*yj*zj*rI3  - 6.0d0*yj*zj*(xj2-yj2)*rI5 )
722 >       dwjdz = ( 2.0d0*(xj2-yj2)*rI3  - 6.0d0*zj2*(xj2-yj2)*rI5 )
723  
724 +       dwjdx = frac1*3.0d0*wj2*dwjdx + frac2*dwjdx
725 +       dwjdy = frac1*3.0d0*wj2*dwjdy + frac2*dwjdy
726 +       dwjdz = frac1*3.0d0*wj2*dwjdz + frac2*dwjdz
727 +      
728         uglyi = zif*zif*zis + zif*zis*zis
729         uglyj = zjf*zjf*zjs + zjf*zjs*zjs
730  
# Line 741 | Line 752 | contains
752         !dwjpdy = 0.0d0
753         !dwjpdz = 0.0d0
754        
755 <       dwidux = 3.0d0*wi2*( 4.0d0*(yi*zi2 + 0.5d0*yi*(xi2-yi2))*rI3 )
756 <       dwiduy = 3.0d0*wi2*( 4.0d0*(xi*zi2 - 0.5d0*xi*(xi2-yi2))*rI3 )
757 <       dwiduz = 3.0d0*wi2*( -8.0d0*xi*yi*zi*rI3 )
755 >       dwidux = ( 4.0d0*(yi*zi2 + 0.5d0*yi*(xi2-yi2))*rI3 )
756 >       dwiduy = ( 4.0d0*(xi*zi2 - 0.5d0*xi*(xi2-yi2))*rI3 )
757 >       dwiduz = ( -8.0d0*xi*yi*zi*rI3 )
758  
759 <       dwjdux = 3.0d0*wj2*( 4.0d0*(yj*zj2 + 0.5d0*yj*(xj2-yj2))*rI3 )
760 <       dwjduy = 3.0d0*wj2*( 4.0d0*(xj*zj2 - 0.5d0*xj*(xj2-yj2))*rI3 )
761 <       dwjduz = 3.0d0*wj2*( -8.0d0*xj*yj*zj*rI3 )
759 >       dwidux = frac1*3.0d0*wi2*dwidux + frac2*dwidux
760 >       dwiduy = frac1*3.0d0*wi2*dwiduy + frac2*dwiduy
761 >       dwiduz = frac1*3.0d0*wi2*dwiduz + frac2*dwiduz
762  
763 +       dwjdux = ( 4.0d0*(yj*zj2 + 0.5d0*yj*(xj2-yj2))*rI3 )
764 +       dwjduy = ( 4.0d0*(xj*zj2 - 0.5d0*xj*(xj2-yj2))*rI3 )
765 +       dwjduz = ( -8.0d0*xj*yj*zj*rI3 )
766 +
767 +       dwjdux = frac1*3.0d0*wj2*dwjdux + frac2*dwjdux
768 +       dwjduy = frac1*3.0d0*wj2*dwjduy + frac2*dwjduy
769 +       dwjduz = frac1*3.0d0*wj2*dwjduz + frac2*dwjduz
770 +
771         dwipdux =  2.0d0*yi*uglyi*rI
772         dwipduy = -2.0d0*xi*uglyi*rI
773         dwipduz =  0.0d0

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