--- trunk/src/brains/SimInfo.cpp	2004/09/24 16:27:58	3
+++ trunk/src/brains/SimInfo.cpp	2004/10/22 22:54:01	143
@@ -9,8 +9,10 @@ using namespace std;
 #define __C
 #include "brains/fSimulation.h"
 #include "utils/simError.h"
+#include "UseTheForce/DarkSide/simulation_interface.h"
+#include "UseTheForce/notifyCutoffs_interface.h"
 
-#include "UseTheForce/fortranWrappers.hpp"
+//#include "UseTheForce/fortranWrappers.hpp"
 
 #include "math/MatVec3.h"
 
@@ -55,13 +57,17 @@ SimInfo::SimInfo(){
   useInitXSstate = true;
 
   usePBC = 0;
-  useLJ = 0; 
-  useSticky = 0;
+  useDirectionalAtoms = 0;
+  useLennardJones = 0; 
+  useElectrostatics = 0;
   useCharges = 0;
   useDipoles = 0;
-  useReactionField = 0;
-  useGB = 0;
+  useSticky = 0;
+  useGayBerne = 0;
   useEAM = 0;
+  useShapes = 0;
+  useFLARB = 0;
+
   useSolidThermInt = 0;
   useLiquidThermInt = 0;
 
@@ -76,7 +82,6 @@ SimInfo::SimInfo(){
 
   ngroup = 0;
 
-  wrapMeSimInfo( this );
 }
 
 
@@ -132,7 +137,7 @@ void SimInfo::setBoxM( double theBox[3][3] ){
     }
   }
 
-  setFortranBoxSize(FortranHmat, FortranHmatInv, &orthoRhombic);
+  setFortranBox(FortranHmat, FortranHmatInv, &orthoRhombic);
  
 }
  
@@ -432,17 +437,27 @@ void SimInfo::refreshSim(){
   }
 
   fInfo.SIM_uses_PBC = usePBC;
-  //fInfo.SIM_uses_LJ = 0;
-  fInfo.SIM_uses_LJ = useLJ;
-  fInfo.SIM_uses_sticky = useSticky;
-  //fInfo.SIM_uses_sticky = 0;
-  fInfo.SIM_uses_charges = useCharges;
-  fInfo.SIM_uses_dipoles = useDipoles;
-  //fInfo.SIM_uses_dipoles = 0;
-  fInfo.SIM_uses_RF = useReactionField;
-  //fInfo.SIM_uses_RF = 0;
-  fInfo.SIM_uses_GB = useGB;
+
+  if (useSticky || useDipoles || useGayBerne || useShapes) {
+    useDirectionalAtoms = 1;
+    fInfo.SIM_uses_DirectionalAtoms = useDirectionalAtoms;
+  }
+
+  fInfo.SIM_uses_LennardJones = useLennardJones;
+
+  if (useCharges || useDipoles) {
+    useElectrostatics = 1;
+    fInfo.SIM_uses_Electrostatics = useElectrostatics;
+  }
+
+  fInfo.SIM_uses_Charges = useCharges;
+  fInfo.SIM_uses_Dipoles = useDipoles;
+  fInfo.SIM_uses_Sticky = useSticky;
+  fInfo.SIM_uses_GayBerne = useGayBerne;
   fInfo.SIM_uses_EAM = useEAM;
+  fInfo.SIM_uses_Shapes = useShapes;
+  fInfo.SIM_uses_FLARB = useFLARB;
+  fInfo.SIM_uses_RF = useReactionField;
 
   n_exclude = excludes->getSize();
   excl = excludes->getFortranArray();
@@ -459,7 +474,7 @@ void SimInfo::refreshSim(){
   //it may not be a good idea to pass the address of first element in vector
   //since c++ standard does not require vector to be stored continuously in meomory
   //Most of the compilers will organize the memory of vector continuously
-  setFsimulation( &fInfo, &n_global, &n_atoms, identArray, &n_exclude, excl, 
+  setFortranSim( &fInfo, &n_global, &n_atoms, identArray, &n_exclude, excl, 
                   &nGlobalExcludes, globalExcludes, molMembershipArray, 
                   &mfact[0], &ngroup, &FglobalGroupMembership[0], &isError); 
 
@@ -489,7 +504,7 @@ void SimInfo::setDefaultRcut( double theRcut ){
   rCut = theRcut;
   rList = rCut + 1.0; 
   
-  notifyFortranCutOffs( &rCut, &rSw, &rList );
+  notifyFortranCutoffs( &rCut, &rSw, &rList );
 }
 
 void SimInfo::setDefaultRcut( double theRcut, double theRsw ){