--- trunk/OOPSE-2.0/src/UseTheForce/doForces.F90 2005/12/29 20:19:23 2529 +++ trunk/OOPSE-2.0/src/UseTheForce/doForces.F90 2005/12/30 00:18:28 2530 @@ -45,7 +45,7 @@ !! @author Charles F. Vardeman II !! @author Matthew Meineke -!! @version $Id: doForces.F90,v 1.71 2005-12-15 21:43:16 gezelter Exp $, $Date: 2005-12-15 21:43:16 $, $Name: not supported by cvs2svn $, $Revision: 1.71 $ +!! @version $Id: doForces.F90,v 1.72 2005-12-30 00:18:28 chuckv Exp $, $Date: 2005-12-30 00:18:28 $, $Name: not supported by cvs2svn $, $Revision: 1.72 $ module doForces @@ -281,6 +281,7 @@ contains logical :: i_is_GB logical :: i_is_EAM logical :: i_is_Shape + logical :: i_is_SC logical :: GtypeFound integer :: myStatus, nAtypes, i, j, istart, iend, jstart, jend @@ -310,7 +311,7 @@ contains call getElementProperty(atypes, i, "is_GayBerne", i_is_GB) call getElementProperty(atypes, i, "is_EAM", i_is_EAM) call getElementProperty(atypes, i, "is_Shape", i_is_Shape) - + call getElementProperty(atypes, i, "is_SC", i_is_SC) if (haveDefaultCutoffs) then atypeMaxCutoff(i) = defaultRcut @@ -343,6 +344,10 @@ contains thisRcut = getShapeCut(i) if (thisRCut .gt. atypeMaxCutoff(i)) atypeMaxCutoff(i) = thisRCut endif + if (i_is_SC) then + thisRcut = getSCCut(i) + if (thisRCut .gt. atypeMaxCutoff(i)) atypeMaxCutoff(i) = thisRCut + endif endif if (atypeMaxCutoff(i).gt.biggestAtypeCutoff) then