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root/group/trunk/OOPSE-4/src/UseTheForce/DarkSide/electrostatic.F90
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Comparing trunk/OOPSE-4/src/UseTheForce/DarkSide/electrostatic.F90 (file contents):
Revision 2309 by chrisfen, Sun Sep 18 20:45:38 2005 UTC vs.
Revision 2310 by chrisfen, Mon Sep 19 23:21:46 2005 UTC

# Line 446 | Line 446 | contains
446  
447      if (.not.summationMethodChecked) then
448         call checkSummationMethod()
449 +      
450      endif
451  
452  
# Line 610 | Line 611 | contains
611  
612         if (j_is_Charge) then
613  
614 <          if (summationMethod .eq. 1) then
614 >          if (summationMethod .eq. UNDAMPED_WOLF) then
615               vterm = pre11 * q_i * q_j * (riji - rcuti)
616  
617               vpair = vpair + vterm
# Line 642 | Line 643 | contains
643  
644            pref = sw * pre12 * q_i * mu_j
645  
646 <          if (summationMethod .eq. 1) then
646 >          if (summationMethod .eq. UNDAMPED_WOLF) then
647               ri2 = riji * riji
648               ri3 = ri2 * riji
649  
# Line 709 | Line 710 | contains
710  
711            pref =  sw * pre14 * q_i / 3.0_dp
712  
713 <          if (summationMethod .eq. 1) then
713 >          if (summationMethod .eq. UNDAMPED_WOLF) then
714               vterm1 = pref * ri3*( qxx_j * (3.0_dp*cx2 - 1.0_dp) + &
715                    qyy_j * (3.0_dp*cy2 - 1.0_dp) + &
716                    qzz_j * (3.0_dp*cz2 - 1.0_dp) )
# Line 807 | Line 808 | contains
808  
809            pref = sw * pre12 * q_j * mu_i
810  
811 <          if (summationMethod .eq. 1) then
811 >          if (summationMethod .eq. UNDAMPED_WOLF) then
812               ri2 = riji * riji
813               ri3 = ri2 * riji
814  
# Line 862 | Line 863 | contains
863  
864            pref = sw * pre22 * mu_i * mu_j
865  
866 <          if (summationMethod .eq. 1) then
866 >          if (summationMethod .eq. UNDAMPED_WOLF) then
867               ri2 = riji * riji
868               ri3 = ri2 * riji
869               ri4 = ri2 * ri2
# Line 965 | Line 966 | contains
966  
967            pref = sw * pre14 * q_j / 3.0_dp
968  
969 <          if (summationMethod .eq. 1) then
969 >          if (summationMethod .eq. UNDAMPED_WOLF) then
970               vterm1 = pref * ri3*( qxx_i * (3.0_dp*cx2 - 1.0_dp) + &
971                    qyy_i * (3.0_dp*cy2 - 1.0_dp) + &
972                    qzz_i * (3.0_dp*cz2 - 1.0_dp) )

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