--- trunk/OOPSE/libmdtools/EAM_FF.cpp	2003/11/10 21:50:36	859
+++ trunk/OOPSE/libmdtools/EAM_FF.cpp	2004/06/11 14:14:10	1261
@@ -80,8 +80,8 @@ namespace EAM_NS{
       
       if( !strcmp( info.name, name ) ){
 	sprintf( painCave.errMsg,
-		 "Duplicate LJ atom type \"%s\" found in "
-		 "the LJ_FF param file./n",
+		 "Duplicate EAM atom type \"%s\" found in "
+		 "the EAM_FF param file./n",
 		 name );
 	painCave.isFatal = 1;
 	simError();
@@ -155,8 +155,11 @@ using namespace EAM_NS;
 // begins the actual forcefield stuff.	
 //****************************************************************
 
+EAM_FF::EAM_FF() {
+  EAM_FF("");
+}
 
-EAM_FF::EAM_FF(){
+EAM_FF::EAM_FF(char* the_variant){
 
   char fileName[200];
   char* ffPath_env = "FORCE_PARAM_PATH";
@@ -201,11 +204,27 @@ EAM_FF::EAM_FF(){
   if( worldRank == 0 ){
 #endif
     
-    // generate the force file name
+    // generate the force file name   
+
+    strcpy( fileName, "EAM" );
+
+    if (strlen(the_variant) > 0) {
+      has_variant = 1;
+      strcpy( variant, the_variant);
+      strcat( fileName, ".");
+      strcat( fileName, variant );
+
+      sprintf( painCave.errMsg,
+               "Using %s variant of EAM force field.\n",
+               variant );
+      painCave.severity = OOPSE_INFO;
+      painCave.isFatal = 0;
+      simError();
+    }
+    strcat( fileName, ".frc");
+
+    //fprintf( stderr,"Trying to open %s\n", fileName );
     
-    strcpy( fileName, "EAM_FF.frc" ); 
-    //    fprintf( stderr,"Trying to open %s\n", fileName );
-    
     // attempt to open the file in the current directory first.
     
     frcFile = fopen( fileName, "r" );
@@ -228,16 +247,19 @@ EAM_FF::EAM_FF(){
       frcFile = fopen( fileName, "r" );
       
       if( frcFile == NULL ){
-	
+        
 	sprintf( painCave.errMsg,
-		 "Error opening the force field parameter file: %s\n"
-		 "Have you tried setting the FORCE_PARAM_PATH environment "
-		 "vairable?\n",
+		 "Error opening the force field parameter file:\n"
+                 "\t%s\n"
+		 "\tHave you tried setting the FORCE_PARAM_PATH environment "
+		 "variable?\n",
 		 fileName );
+        painCave.severity = OOPSE_ERROR;
 	painCave.isFatal = 1;
 	simError();
       }
     }
+
     
 #ifdef IS_MPI
   }
@@ -267,7 +289,7 @@ void EAM_FF::calcRcut( void ){
 
 void EAM_FF::calcRcut( void ){
   
-  #ifdef IS_MPI
+#ifdef IS_MPI
   double tempEamRcut = eamRcut;
   MPI_Allreduce( &tempEamRcut, &eamRcut, 1, MPI_DOUBLE, MPI_MAX,
 		 MPI_COMM_WORLD);
@@ -317,7 +339,7 @@ void EAM_FF::readParams( void ){
     // read in the atom types.
 
     headAtomType = new LinkedAtomType;
-    
+
     fastForward( "AtomTypes", "eam atom readParams" );
 
     // we are now at the AtomTypes section.
@@ -407,7 +429,7 @@ void EAM_FF::readParams( void ){
     MPIcheckPoint();
 
     headAtomType = new LinkedAtomType;
-    recieveFrcStruct( &info, mpiAtomStructType );
+    receiveFrcStruct( &info, mpiAtomStructType );
 
     while( !info.last ){
       
@@ -433,7 +455,7 @@ void EAM_FF::readParams( void ){
       
       MPIcheckPoint();
 
-      recieveFrcStruct( &info, mpiAtomStructType );
+      receiveFrcStruct( &info, mpiAtomStructType );
 
 
     }
@@ -449,8 +471,10 @@ void EAM_FF::readParams( void ){
   int isDipole = 0;
   int isSSD = 0;
   int isGB = 0;
-  int isEAM= 1;
+  int isEAM = 1;
+  int isCharge = 0;
   double dipole = 0.0;
+  double charge = 0.0;
   double eamSigma = 0.0;
   double eamEpslon = 0.0;
   
@@ -465,8 +489,10 @@ void EAM_FF::readParams( void ){
 		 &isDipole,
 		 &isGB,
 		 &isEAM,
+                 &isCharge,
 		 &eamEpslon,
 		 &eamSigma,
+                 &charge,
 		 &dipole,
 		 &isError );
       if( isError ){
@@ -544,11 +570,9 @@ void EAM_FF::initializeAtoms( int nAtoms, Atom** the_a
     
     the_atoms[i]->setMass( currentAtomType->mass );
     the_atoms[i]->setIdent( currentAtomType->ident );
-    the_atoms[i]->setEAM();
-    the_atoms[i]->setEamRcut( currentAtomType->eam_rcut);
 
     if (eamRcut < currentAtomType->eam_rcut) eamRcut = currentAtomType->eam_rcut;
-
+    
   }
 }
 
@@ -725,7 +749,7 @@ int EAM_NS::parseEAM(atomStruct &info, char *eamPotFil
       sprintf( painCave.errMsg,
 	       "Error opening the EAM force parameter file: %s\n"
 	       "Have you tried setting the FORCE_PARAM_PATH environment "
-	       "vairable?\n",
+	       "variable?\n",
 	       eamPotFile );
       painCave.isFatal = 1;
       simError();