--- branches/development/src/nonbonded/InteractionManager.hpp	2010/10/02 19:53:32	1502
+++ branches/development/src/nonbonded/InteractionManager.hpp	2010/12/27 18:35:59	1529
@@ -65,51 +65,22 @@ namespace OpenMD {
 
   public:
     static InteractionManager* Instance();
-    static void setForceField(ForceField *ff) {forceField_ = ff;};    
+    static void setForceField(ForceField *ff) {forceField_ = ff;} 
 
-    static void doPrePair(AtomType* atype1,
-                          AtomType* atype2,
-                          RealType rij,
-                          RealType &rho_i_at_j,
-                          RealType &rho_j_at_i);
+    static void setCutoffRadius(RealType rcut) {rCut_ = rcut;}
+    static void setSwitchingRadius(RealType rsw) {rSwitch_ = rsw;}
+    static void useShiftedForce() ;
+    static void useShiftedPot();
 
-    static void doPreForce(AtomType* atype,
-                           RealType rho,      
-                           RealType &frho,
-                           RealType &dfrhodrho);
-
-    static void doSkipCorrection(AtomType* atype1,       
-                                 AtomType* atype2,
-                                 Vector3d d,
-                                 RealType rij,
-                                 RealType &skippedCharge1,
-                                 RealType &skippedCharge2,
-                                 RealType sw,
-                                 RealType electroMult,
-                                 RealType &pot,
-                                 RealType &vpair,
-                                 Vector3d &f1,
-                                 Mat3x3d eFrame1,
-                                 Mat3x3d eFrame2,
-                                 Vector3d &t1,
-                                 Vector3d &t2);
-    
-    static void doSelfCorrection(AtomType* atype,
-                                 Mat3x3d eFrame,
-                                 RealType skippedCharge,
-                                 RealType &pot,
-                                 Vector3d &t);
-
-    static RealType getCutoff();
-
     // Fortran support routines
 
-    static void do_prepair(int *atid1, int *atid2, RealType *rij, RealType *rho_i_at_j, RealType *rho_j_at_i);
-    static void do_preforce(int *atid, RealType *rho, RealType *frho, RealType *dfrhodrho);
-    static void do_pair(int *atid1, int *atid2, RealType *d, RealType *r, RealType *r2, RealType *rcut, RealType *sw, RealType *vdwMult,RealType *electroMult, RealType *pot, RealType *vpair, RealType *f1, RealType *eFrame1, RealType *eFrame2, RealType *A1, RealType *A2, RealType *t1, RealType *t2, RealType *rho1, RealType *rho2, RealType *dfrho1, RealType *dfrho2, RealType *fshift1, RealType *fshift2);    
-    static void do_skip_correction(int *atid1, int *atid2, RealType *d, RealType *r, RealType *skippedCharge1, RealType *skippedCharge2, RealType *sw, RealType *electroMult, RealType *pot, RealType *vpair, RealType *f1, RealType *eFrame1, RealType *eFrame2, RealType *t1, RealType *t2);
-    static void do_self_correction(int *atid, RealType *eFrame, RealType *skippedCharge, RealType *pot, RealType *t);
-   
+    static void doPrePair(int *atid1, int *atid2, RealType *rij, RealType *rho_i_at_j, RealType *rho_j_at_i);
+    static void doPreForce(int *atid, RealType *rho, RealType *frho, RealType *dfrhodrho);
+    static void doPair(int *atid1, int *atid2, RealType *d, RealType *r, RealType *r2, RealType *rcut, RealType *sw, RealType *vdwMult,RealType *electroMult, RealType *pot, RealType *vpair, RealType *f1, RealType *eFrame1, RealType *eFrame2, RealType *A1, RealType *A2, RealType *t1, RealType *t2, RealType *rho1, RealType *rho2, RealType *dfrho1, RealType *dfrho2, RealType *fshift1, RealType *fshift2);    
+    static void doSkipCorrection(int *atid1, int *atid2, RealType *d, RealType *r, RealType *skippedCharge1, RealType *skippedCharge2, RealType *sw, RealType *electroMult, RealType *pot, RealType *vpair, RealType *f1, RealType *eFrame1, RealType *eFrame2, RealType *t1, RealType *t2);
+    static void doSelfCorrection(int *atid, RealType *eFrame, RealType *skippedCharge, RealType *pot, RealType *t);
+    static RealType getSuggestedCutoffRadius(int *atid1);   
+    static RealType getSuggestedCutoffRadius(AtomType *atype);   
     
   private:
     virtual ~InteractionManager() { }
@@ -131,15 +102,16 @@ namespace OpenMD {
     static Morse* morse_;
     static Electrostatic* electrostatic_;
 
+    static RealType rCut_;
+    static RealType rSwitch_;
+
     static map<int, AtomType*> typeMap_;
     /**
      * Each pair of atom types can have multiple interactions, so the 
      * natural data structures are a map between the pair, and a set
      * of non-bonded interactions.
      */
-    static map<pair<AtomType*, AtomType*>, set<NonBondedInteraction*> > interactions_;
-    
-
+    static map<pair<AtomType*, AtomType*>, set<NonBondedInteraction*> > interactions_;    
   };
 }
 #endif