--- trunk/OOPSE/libBASS/Globals.cpp	2004/05/20 20:27:26	1181
+++ trunk/OOPSE/libBASS/Globals.cpp	2004/05/22 18:17:05	1188
@@ -66,8 +66,9 @@
 #define G_ZCONSGAP          45
 #define G_ZCONSFIXTIME      46
 #define G_ZCONSUSINGSMD     47
-#define G_THERM_INT_LAMBDA  48
-#define G_THERM_INT_K       49
+#define G_USE_THERM_INT     48
+#define G_THERM_INT_LAMBDA  49
+#define G_THERM_INT_K       50
 
 Globals::Globals(){
   
@@ -130,8 +131,9 @@ Globals::Globals(){
   addHash( "zconsGap", G_ZCONSGAP);
   addHash( "zconsFixtime", G_ZCONSFIXTIME);
   addHash( "zconsUsingSMD", G_ZCONSUSINGSMD);
+  addHash( "useThermInt",                    G_USE_THERM_INT);
   addHash( "thermodynamicIntegrationLambda", G_THERM_INT_LAMBDA);
-  addHash( "thermodynamicIntegrationK", G_THERM_INT_K);
+  addHash( "thermodynamicIntegrationK",      G_THERM_INT_K);
 
   strcpy( mixingRule,"standard");  //default mixing rules to standard.
   usePBC = 1; //default  periodic boundry conditions to on
@@ -139,6 +141,7 @@ Globals::Globals(){
   useInitTime = 0; // default to pull init time from the init file
   useInitXSstate = 0; // default to pull the extended state from the init file
   orthoBoxTolerance = 1E-6;
+  useThermInt = 0; // default thermodynamic integration to off
 
   have_force_field =  0;
   have_n_components = 0;
@@ -184,6 +187,8 @@ Globals::Globals(){
   have_minimizer_gtol = 0;
   have_minimizer_ls_tol = 0;
   have_minimizer_ls_maxiteration = 0;
+  have_thermodynamic_integration_lambda = 0;
+  have_thermodynamic_integration_k = 0;
 
 }
 
@@ -1575,6 +1580,24 @@ int Globals::globalAssign( event* the_event ){
       }
       break;
 
+    case G_USE_THERM_INT:
+      if( the_type == STRING ){
+	
+	if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) useThermInt = 1;
+	else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) useThermInt = 0;
+	else{
+	  the_event->err_msg = 
+	    strdup( "Global error. useThermInt was not \"true\" or \"false\".\n" );
+	  return 0;
+	}
+	return 1;
+      }
+      
+      the_event->err_msg = 
+	strdup( "Global error. useThermInt was not \"true\" or \"false\".\n" );
+      return 0;
+      break;
+
     case G_THERM_INT_LAMBDA:
       switch( the_type ){