--- trunk/mdtools/interface_implementation/TraPPE_ExFF.cpp	2002/10/16 22:24:44	141
+++ trunk/mdtools/interface_implementation/TraPPE_ExFF.cpp	2002/10/18 16:15:05	146
@@ -28,6 +28,42 @@ MPI_Datatype mpiAtomStructType;
 } atomStruct;
 MPI_Datatype mpiAtomStructType;
 
+typedef struct{
+  char nameA[15];
+  char nameB[15];
+  char type[30];
+  double d0;
+  int last;      //  0  -> default
+                 //  1  -> tells nodes to stop listening
+                 // -1  -> an error has occured. (handled in mpiForceField)
+} bondStruct;
+MPI_Datatype mpiBondStructType;
+
+typedef struct{
+  char nameA[15];
+  char nameB[15];
+  char nameC[15];
+  char type[30];
+  double k1, k2, k3, t0;
+  int last;      //  0  -> default
+                 //  1  -> tells nodes to stop listening
+                 // -1  -> an error has occured. (handled in mpiForceField)
+} bendStruct;
+MPI_Datatype mpiBendStructType;
+
+typedef struct{
+  char nameA[15];
+  char nameB[15];
+  char nameC[15];
+  char nameD[15];
+  char type[30];
+  double k1, k2, k3, k4;
+  int last;      //  0  -> default
+                 //  1  -> tells nodes to stop listening
+                 // -1  -> an error has occured. (handled in mpiForceField)
+} TorsionStruct;
+MPI_Datatype mpiTorsionStructType;
+
 #endif
 
 
@@ -422,8 +458,31 @@ void TraPPE_ExFF::initializeBonds( bond_pair* the_bond
       if( !strcmp(nameA, key2 ) && !strcmp( nameB, key1 ) ) return this;
       if( next != NULL ) return next->find(key1, key2);
       return NULL;
+    }
+    
+#ifdef IS_MPI
+    void add( bondStruct &info ){
+      if( next != NULL ) next->add(info);
+      else{
+	next = new LinkedType();
+	strcpy(next->nameA, info.nameA);
+	strcpy(next->nameB, info.nameB);
+	strcpy(next->type,  info.type);
+	next->d0 = info.d0;
+      }
     }
     
+    void duplicate( bondStruct &info ){
+      strcpy(info.nameA, nameA);
+      strcpy(info.nameB, nameB);
+      strcpy(info.type,  type);
+      info.d0   = d0;
+      info.last = 0;
+    }
+
+
+#endif
+
     char nameA[15];
     char nameB[15];
     char type[30];
@@ -612,8 +671,39 @@ void TraPPE_ExFF::initializeBends( bend_set* the_bends
 	  && !strcmp( nameC, key1 ) ) return this;
       if( next != NULL ) return next->find(key1, key2, key3);
       return NULL;
+    }
+    
+#ifdef IS_MPI
+
+    void add( bendStruct &info ){
+      if( next != NULL ) next->add(info);
+      else{
+	next = new LinkedType();
+	strcpy(next->nameA, info.nameA);
+	strcpy(next->nameB, info.nameB);
+	strcpy(next->nameC, info.nameC);
+	strcpy(next->type,  info.type);
+	next->k1 = info.k1;
+	next->k2 = info.k2;
+	next->k3 = info.k3;
+	next->t0 = info.t0;
+      }
     }
     
+    void duplicate( bendStruct &info ){
+      strcpy(info.nameA, nameA);
+      strcpy(info.nameB, nameB);
+      strcpy(info.nameC, nameC);
+      strcpy(info.type,  type);
+      info.k1   = k1;
+      info.k2   = k2;
+      info.k3   = k3;
+      info.t0   = t0;
+      info.last = 0;
+    }
+
+#endif
+
     char nameA[15];
     char nameB[15];
     char nameC[15];
@@ -840,8 +930,40 @@ void TraPPE_ExFF::initializeTorsions( torsion_set* the
 
       if( next != NULL ) return next->find(key1, key2, key3, key4);
       return NULL;
+    }
+    
+#ifdef IS_MPI
+
+    void add( torsionStruct &info ){
+      if( next != NULL ) next->add(info);
+      else{
+	next = new LinkedType();
+	strcpy(next->nameA, info.nameA);
+	strcpy(next->nameB, info.nameB);
+	strcpy(next->nameC, info.nameC);
+	strcpy(next->type,  info.type);
+	next->k1 = info.k1;
+	next->k2 = info.k2;
+	next->k3 = info.k3;
+	next->k4 = info.k4;
+      }
     }
     
+    void duplicate( torsionStruct &info ){
+      strcpy(info.nameA, nameA);
+      strcpy(info.nameB, nameB);
+      strcpy(info.nameC, nameC);
+      strcpy(info.nameD, nameD);
+      strcpy(info.type,  type);
+      info.k1   = k1;
+      info.k2   = k2;
+      info.k3   = k3;
+      info.k4   = k4;
+      info.last = 0;
+    }
+
+#endif
+
     char nameA[15];
     char nameB[15];
     char nameC[15];