--- trunk/OOPSE-3.0/src/UseTheForce/DarkSide/suttonchen.F90 2005/12/29 20:19:23 2529 +++ trunk/OOPSE-3.0/src/UseTheForce/DarkSide/suttonchen.F90 2005/12/30 00:18:28 2530 @@ -177,7 +177,7 @@ contains ! check to see if this is the first time into if (.not.associated(SCList%SCTypes)) then - call getMatchingElementList(atypes, "is_SuttonChen", .true., nSCtypes, MatchList) + call getMatchingElementList(atypes, "is_SC", .true., nSCtypes, MatchList) SCList%nSCtypes = nSCtypes allocate(SCList%SCTypes(nSCTypes)) nAtypes = getSize(atypes) @@ -222,7 +222,7 @@ contains real(kind=dp) :: cutValue scID = SCList%atidToSCType(atomID) - cutValue = SCList%SCTypes(scID)%sc_rcut + cutValue = 2.0_dp * SCList%SCTypes(scID)%alpha end function getSCCut