--- trunk/src/io/MetalNonMetalInteractionsSectionParser.cpp	2008/03/03 17:14:37	1229
+++ trunk/src/io/MetalNonMetalInteractionsSectionParser.cpp	2009/11/25 20:02:06	1390
@@ -6,19 +6,10 @@
  * redistribute this software in source and binary code form, provided
  * that the following conditions are met:
  *
- * 1. Acknowledgement of the program authors must be made in any
- *    publication of scientific results based in part on use of the
- *    program.  An acceptable form of acknowledgement is citation of
- *    the article in which the program was described (Matthew
- *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
- *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
- *    Parallel Simulation Engine for Molecular Dynamics,"
- *    J. Comput. Chem. 26, pp. 252-271 (2005))
- *
- * 2. Redistributions of source code must retain the above copyright
+ * 1. Redistributions of source code must retain the above copyright
  *    notice, this list of conditions and the following disclaimer.
  *
- * 3. Redistributions in binary form must reproduce the above copyright
+ * 2. Redistributions in binary form must reproduce the above copyright
  *    notice, this list of conditions and the following disclaimer in the
  *    documentation and/or other materials provided with the
  *    distribution.
@@ -37,6 +28,15 @@
  * arising out of the use of or inability to use software, even if the
  * University of Notre Dame has been advised of the possibility of
  * such damages.
+ *
+ * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
+ * research, please cite the appropriate papers when you publish your
+ * work.  Good starting points are:
+ *                                                                      
+ * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
+ * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
+ * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
+ * [4]  Vardeman & Gezelter, in progress (2009).                        
  */
  
 #include "io/MetalNonMetalInteractionsSectionParser.hpp"
@@ -47,7 +47,7 @@
 #include "types/RepulsiveMorseInteractionType.hpp"
 #include "UseTheForce/ForceField.hpp"
 #include "utils/simError.h"
-namespace oopse {
+namespace OpenMD {
 
   MetalNonMetalInteractionsSectionParser::MetalNonMetalInteractionsSectionParser(ForceFieldOptions& options) : options_(options){
     setSectionName("MetalNonMetalInteractions");
@@ -75,67 +75,68 @@ namespace oopse {
     std::string at2 = tokenizer.nextToken();
     std::string itype = tokenizer.nextToken();
 
-  	MetalNonMetalInteractionTypeEnum nbit = getMetalNonMetalInteractionTypeEnum(itype);
+    MetalNonMetalInteractionTypeEnum nbit = getMetalNonMetalInteractionTypeEnum(itype);
     nTokens -= 3;
-		NonBondedInteractionType* interactionType;
+    NonBondedInteractionType* interactionType;
     	
     //switch is a nightmare to maintain
     switch(nbit) {
     case MAW :
-		if (nTokens < 4) {
-			sprintf(painCave.errMsg, "MetalNonMetalInteractionsSectionParser Error: Not enough tokens at line %d\n",
-				lineNo);
-			painCave.isFatal = 1;
-			simError();
-		} else {
-			RealType r_e = tokenizer.nextTokenAsDouble();
-			RealType D_e = tokenizer.nextTokenAsDouble();
-			RealType beta = tokenizer.nextTokenAsDouble();
-			RealType alpha = tokenizer.nextTokenAsDouble();			
-      interactionType = new MAWInteractionType(D_e, beta, r_e, alpha);
-		}
-		break;
-            
+      if (nTokens < 5) {
+        sprintf(painCave.errMsg, "MetalNonMetalInteractionsSectionParser Error: Not enough tokens at line %d\n",
+                lineNo);
+        painCave.isFatal = 1;
+        simError();
+      } else {
+        RealType r_e = tokenizer.nextTokenAsDouble();
+        RealType D_e = tokenizer.nextTokenAsDouble();
+        RealType beta = tokenizer.nextTokenAsDouble();
+        RealType ca1 = tokenizer.nextTokenAsDouble();
+        RealType cb1 = tokenizer.nextTokenAsDouble();
+        interactionType = new MAWInteractionType(D_e, beta, r_e, ca1, cb1);
+      }
+      break;
+      
     case ShiftedMorse :
-		if (nTokens < 3) {
-			sprintf(painCave.errMsg, "MetalNonMetalInteractionsSectionParser Error: Not enough tokens at line %d\n",
-				lineNo);
-			painCave.isFatal = 1;
-			simError();
-		} else {
-			RealType r0 = tokenizer.nextTokenAsDouble();
-			RealType D0 = tokenizer.nextTokenAsDouble();
-			RealType beta0 = tokenizer.nextTokenAsDouble();
-      interactionType = new ShiftedMorseInteractionType(D0, beta0, r0);
-		}
-		break;
+      if (nTokens < 3) {
+        sprintf(painCave.errMsg, "MetalNonMetalInteractionsSectionParser Error: Not enough tokens at line %d\n",
+                lineNo);
+        painCave.isFatal = 1;
+        simError();
+      } else {
+        RealType r0 = tokenizer.nextTokenAsDouble();
+        RealType D0 = tokenizer.nextTokenAsDouble();
+        RealType beta0 = tokenizer.nextTokenAsDouble();
+        interactionType = new ShiftedMorseInteractionType(D0, beta0, r0);
+      }
+      break;
 
-		 case RepulsiveMorse :
-			if (nTokens < 3) {
-				sprintf(painCave.errMsg, "MetalNonMetalInteractionsSectionParser Error: Not enough tokens at line %d\n",
-					lineNo);
-				painCave.isFatal = 1;
-				simError();
-			} else {
-				RealType r0 = tokenizer.nextTokenAsDouble();
-				RealType D0 = tokenizer.nextTokenAsDouble();
-				RealType beta0 = tokenizer.nextTokenAsDouble();
-	      interactionType = new RepulsiveMorseInteractionType(D0, beta0, r0);
-			}
-			break;
+    case RepulsiveMorse :
+      if (nTokens < 3) {
+        sprintf(painCave.errMsg, "MetalNonMetalInteractionsSectionParser Error: Not enough tokens at line %d\n",
+                lineNo);
+        painCave.isFatal = 1;
+        simError();
+      } else {
+        RealType r0 = tokenizer.nextTokenAsDouble();
+        RealType D0 = tokenizer.nextTokenAsDouble();
+        RealType beta0 = tokenizer.nextTokenAsDouble();
+        interactionType = new RepulsiveMorseInteractionType(D0, beta0, r0);
+      }
+      break;
 
     case LennardJones :
-		if (nTokens < 2) {
-			sprintf(painCave.errMsg, "MetalNonMetalInteractionsSectionParser Error: Not enough tokens at line %d\n",
-				lineNo);
-			painCave.isFatal = 1;
-			simError();
-		} else {
-			RealType sigma = tokenizer.nextTokenAsDouble();
-			RealType epsilon = tokenizer.nextTokenAsDouble();
-      interactionType = new LennardJonesInteractionType(sigma, epsilon);
-		}
-		break;
+      if (nTokens < 2) {
+        sprintf(painCave.errMsg, "MetalNonMetalInteractionsSectionParser Error: Not enough tokens at line %d\n",
+                lineNo);
+        painCave.isFatal = 1;
+        simError();
+      } else {
+        RealType sigma = tokenizer.nextTokenAsDouble();
+        RealType epsilon = tokenizer.nextTokenAsDouble();
+        interactionType = new LennardJonesInteractionType(sigma, epsilon);
+      }
+      break;
 
     case Unknown :
     default:
@@ -161,5 +162,5 @@ namespace oopse {
     return i == stringToEnumMap_.end() ? Unknown : i->second;
   }
 
-} //end namespace oopse
+} //end namespace OpenMD