--- branches/development/src/nonbonded/MAW.cpp	2010/12/29 19:59:21	1532
+++ branches/development/src/nonbonded/MAW.cpp	2011/04/08 21:25:19	1545
@@ -124,13 +124,12 @@ namespace OpenMD {
     }    
   }
   
-  void MAW::calcForce(InteractionData idat) {
+  void MAW::calcForce(InteractionData &idat) {
 
     if (!initialized_) initialize();
     
-    pair<AtomType*, AtomType*> key = make_pair(idat.atype1, idat.atype2); 
     map<pair<AtomType*, AtomType*>, MAWInteractionData>::iterator it;
-    it = MixingMap.find(key);
+    it = MixingMap.find(idat.atypes);
     if (it != MixingMap.end()) {
       MAWInteractionData mixer = (*it).second;
       
@@ -145,7 +144,7 @@ namespace OpenMD {
       RealType ca1 = mixer.ca1;
       RealType cb1 = mixer.cb1;
 
-      bool j_is_Metal = idat.atype2->isMetal();
+      bool j_is_Metal = idat.atypes.second->isMetal();
 
       Vector3d r;
       RotMat3x3d Atrans;
@@ -220,8 +219,8 @@ namespace OpenMD {
       RealType Vang = ca1 * x2 / idat.r2 + cb1 * z / idat.rij + (0.8 - ca1 / 3.0);
          
       RealType pot_temp = idat.vdwMult * Vmorse * Vang;
-      idat.vpair += pot_temp;
-      idat.pot += idat.sw * pot_temp;
+      idat.vpair[0] += pot_temp;
+      idat.pot[0] += idat.sw * pot_temp;
            
       Vector3d dVmorsedr = (myDeriv - myDerivC) * Vector3d(x, y, z) / idat.rij;
     
@@ -271,11 +270,10 @@ namespace OpenMD {
     
   }
     
-  RealType MAW::getSuggestedCutoffRadius(AtomType* at1, AtomType* at2) {
+  RealType MAW::getSuggestedCutoffRadius(pair<AtomType*, AtomType*> atypes) {
     if (!initialized_) initialize();   
-    pair<AtomType*, AtomType*> key = make_pair(at1, at2); 
     map<pair<AtomType*, AtomType*>, MAWInteractionData>::iterator it;
-    it = MixingMap.find(key);
+    it = MixingMap.find(atypes);
     if (it == MixingMap.end()) 
       return 0.0;
     else  {