--- trunk/OOPSE/libmdtools/SimSetup.cpp	2003/07/22 16:41:08	644
+++ trunk/OOPSE/libmdtools/SimSetup.cpp	2003/07/29 16:32:37	656
@@ -24,12 +24,17 @@
 
 #define FF_DUFF 0
 #define FF_LJ   1
+#define FF_EAM  2
 
-
 SimSetup::SimSetup(){
+  
+  isInfoArray = 0;
+  nInfo = 1;
+  
   stamps = new MakeStamps();
   globals = new Globals();
   
+  
 #ifdef IS_MPI
   strcpy( checkPointMsg, "SimSetup creation successful" );
   MPIcheckPoint();
@@ -40,6 +45,13 @@ SimSetup::~SimSetup(){
   delete stamps;
   delete globals;
 }
+
+void SimSetup::setSimInfo( SimInfo* the_info, int theNinfo ) {
+    info = the_info;
+    nInfo = theNinfo;
+    isInfoArray = 1;
+  }
+
 
 void SimSetup::parseFile( char* fileName ){
 
@@ -586,6 +598,7 @@ void SimSetup::gatherInfo( void ){
 
   if( !strcasecmp( force_field, "DUFF" )) ffCase = FF_DUFF;
   else if( !strcasecmp( force_field, "LJ" )) ffCase = FF_LJ;
+  else if( !strcasecmp( force_field, "EAM" )) ffCase = FF_EAM;
   else{
     sprintf( painCave.errMsg,
 	     "SimSetup Error. Unrecognized force field -> %s\n",
@@ -1032,6 +1045,10 @@ void SimSetup::createFF( void ){
     the_ff = new LJFF();
     break;
 
+  case FF_EAM:
+    the_ff = new EAM_FF();
+    break;
+
   default:
     sprintf( painCave.errMsg,
 	     "SimSetup Error. Unrecognized force field in case statement.\n");
@@ -1281,20 +1298,20 @@ void SimSetup::makeIntegrator( void ){
 
 void SimSetup::makeIntegrator( void ){
 
-  NVT*  myNVT = NULL;
-  NPTi* myNPTi = NULL;
-  NPTf* myNPTf = NULL;
-  NPTim* myNPTim = NULL;
-  NPTfm* myNPTfm = NULL;
+  NVT<RealIntegrator>*  myNVT = NULL;
+  NPTi<RealIntegrator>* myNPTi = NULL;
+  NPTf<RealIntegrator>* myNPTf = NULL;
+  NPTim<RealIntegrator>* myNPTim = NULL;
+  NPTfm<RealIntegrator>* myNPTfm = NULL;
 
   switch( ensembleCase ){
 
   case NVE_ENS:
-    new NVE( info, the_ff );
+    new NVE<RealIntegrator>( info, the_ff );
     break;
 
   case NVT_ENS:
-    myNVT = new NVT( info, the_ff );
+    myNVT = new NVT<RealIntegrator>( info, the_ff );
     myNVT->setTargetTemp(globals->getTargetTemp());
 
     if (globals->haveTauThermostat()) 
@@ -1310,7 +1327,7 @@ void SimSetup::makeIntegrator( void ){
     break;
 
   case NPTi_ENS:
-    myNPTi = new NPTi( info, the_ff );
+    myNPTi = new NPTi<RealIntegrator>( info, the_ff );
     myNPTi->setTargetTemp( globals->getTargetTemp() );
 
     if (globals->haveTargetPressure())
@@ -1345,7 +1362,7 @@ void SimSetup::makeIntegrator( void ){
     break;
 
   case NPTf_ENS:
-    myNPTf = new NPTf( info, the_ff );
+    myNPTf = new NPTf<RealIntegrator>( info, the_ff );
     myNPTf->setTargetTemp( globals->getTargetTemp());
 
     if (globals->haveTargetPressure())
@@ -1380,7 +1397,7 @@ void SimSetup::makeIntegrator( void ){
     break;
     
   case NPTim_ENS:
-    myNPTim = new NPTim( info, the_ff );
+    myNPTim = new NPTim<RealIntegrator>( info, the_ff );
     myNPTim->setTargetTemp( globals->getTargetTemp());
 
     if (globals->haveTargetPressure())
@@ -1415,7 +1432,7 @@ void SimSetup::makeIntegrator( void ){
     break;
 
   case NPTfm_ENS:
-    myNPTfm = new NPTfm( info, the_ff );
+    myNPTfm = new NPTfm<RealIntegrator>( info, the_ff );
     myNPTfm->setTargetTemp( globals->getTargetTemp());
 
     if (globals->haveTargetPressure())