--- branches/development/src/brains/Stats.cpp	2012/05/18 21:44:02	1710
+++ branches/development/src/brains/Stats.cpp	2012/06/21 19:26:46	1760
@@ -80,15 +80,17 @@ namespace OpenMD {
     Stats::title_[TRANSLATIONAL_KINETIC] = "Translational Kinetic";
     Stats::title_[ROTATIONAL_KINETIC] = "Rotational Kinetic";
     Stats::title_[LONG_RANGE_POTENTIAL] = "Long Range Potential";
-    Stats::title_[SHORT_RANGE_POTENTIAL] = "Short Range Potential";
-    Stats::title_[VANDERWAALS_POTENTIAL] = "van der waals Potential";
+    Stats::title_[VANDERWAALS_POTENTIAL] = "van der Waals Potential";
     Stats::title_[ELECTROSTATIC_POTENTIAL] = "Electrostatic Potential";    
+    Stats::title_[METALLIC_POTENTIAL] = "Metallic Potential";    
+    Stats::title_[HYDROGENBONDING_POTENTIAL] = "Hydrogen Bonding Potential";
+    Stats::title_[SHORT_RANGE_POTENTIAL] = "Short Range Potential";
     Stats::title_[BOND_POTENTIAL] = "Bond Potential";
     Stats::title_[BEND_POTENTIAL] = "Bend Potential";
     Stats::title_[DIHEDRAL_POTENTIAL] = "Dihedral Potential";
     Stats::title_[INVERSION_POTENTIAL] = "Inversion Potential";
-    Stats::title_[VRAW] = "Raw Potential";
-    Stats::title_[VHARM] = "Harmonic Potential";
+    Stats::title_[RAW_POTENTIAL] = "Raw Potential";
+    Stats::title_[RESTRAINT_POTENTIAL] = "Restraint Potential";
     Stats::title_[SHADOWH] = "Shadow Hamiltonian";
     Stats::title_[PRESSURE_TENSOR_XX] = "P_xx";
     Stats::title_[PRESSURE_TENSOR_XY] = "P_xy";
@@ -104,7 +106,13 @@ namespace OpenMD {
     Stats::title_[BOX_DIPOLE_Z] = "box dipole z";
     Stats::title_[TAGGED_PAIR_DISTANCE] = "Tagged_Pair_Distance";
     Stats::title_[RNEMD_EXCHANGE_TOTAL] = "RNEMD_exchange_total";
-    
+    Stats::title_[THERMAL_HELFANDMOMENT_X] = "Thermal Helfand Moment x";
+    Stats::title_[THERMAL_HELFANDMOMENT_Y] = "Thermal Helfand Moment y";
+    Stats::title_[THERMAL_HELFANDMOMENT_Z] = "Thermal Helfand Moment z";
+    Stats::title_[HEATFLUX_X]= "Heat Flux x component";  
+    Stats::title_[HEATFLUX_Y]= "Heat Flux y component";  
+    Stats::title_[HEATFLUX_Z]= "Heat Flux z component";  
+
     Stats::units_[TIME] = "fs";
     Stats::units_[TOTAL_ENERGY] = "kcal/mol";
     Stats::units_[POTENTIAL_ENERGY] = "kcal/mol";
@@ -118,15 +126,17 @@ namespace OpenMD {
     Stats::units_[TRANSLATIONAL_KINETIC] = "kcal/mol";
     Stats::units_[ROTATIONAL_KINETIC] = "kcal/mol";
     Stats::units_[LONG_RANGE_POTENTIAL] = "kcal/mol";
-    Stats::units_[SHORT_RANGE_POTENTIAL] = "kcal/mol";
     Stats::units_[VANDERWAALS_POTENTIAL] = "kcal/mol";
     Stats::units_[ELECTROSTATIC_POTENTIAL] = "kcal/mol";
+    Stats::units_[METALLIC_POTENTIAL] = "kcal/mol";
+    Stats::units_[HYDROGENBONDING_POTENTIAL] = "kcal/mol";
+    Stats::units_[SHORT_RANGE_POTENTIAL] = "kcal/mol";
     Stats::units_[BOND_POTENTIAL] = "kcal/mol";
     Stats::units_[BEND_POTENTIAL] = "kcal/mol";
     Stats::units_[DIHEDRAL_POTENTIAL] = "kcal/mol";
     Stats::units_[INVERSION_POTENTIAL] = "kcal/mol";
-    Stats::units_[VRAW] = "kcal/mol";
-    Stats::units_[VHARM] = "kcal/mol";
+    Stats::units_[RAW_POTENTIAL] = "kcal/mol";
+    Stats::units_[RESTRAINT_POTENTIAL] = "kcal/mol";
     Stats::units_[SHADOWH] = "kcal/mol";
     Stats::units_[PRESSURE_TENSOR_XX] = "amu*fs^-2*Ang^-1";
     Stats::units_[PRESSURE_TENSOR_XY] = "amu*fs^-2*Ang^-1";
@@ -142,6 +152,12 @@ namespace OpenMD {
     Stats::units_[BOX_DIPOLE_Z] = "C*m";
     Stats::units_[TAGGED_PAIR_DISTANCE] = "Ang";
     Stats::units_[RNEMD_EXCHANGE_TOTAL] = "Variable";
+    Stats::units_[THERMAL_HELFANDMOMENT_X] = "Ang*kcal/mol";
+    Stats::units_[THERMAL_HELFANDMOMENT_Y] = "Ang*kcal/mol";
+    Stats::units_[THERMAL_HELFANDMOMENT_Z] = "Ang*kcal/mol";
+    Stats::units_[HEATFLUX_X]="amu/fs^3";
+    Stats::units_[HEATFLUX_Y]="amu/fs^3";      
+    Stats::units_[HEATFLUX_Z]="amu/fs^3";      
 
     Stats::statsMap.insert(StatsMapType::value_type("TIME", TIME));
     Stats::statsMap.insert(StatsMapType::value_type("TOTAL_ENERGY", TOTAL_ENERGY));
@@ -156,15 +172,17 @@ namespace OpenMD {
     Stats::statsMap.insert(StatsMapType::value_type("TRANSLATIONAL_KINETIC", TRANSLATIONAL_KINETIC));
     Stats::statsMap.insert(StatsMapType::value_type("ROTATIONAL_KINETIC", ROTATIONAL_KINETIC));
     Stats::statsMap.insert(StatsMapType::value_type("LONG_RANGE_POTENTIAL", LONG_RANGE_POTENTIAL));
-    Stats::statsMap.insert(StatsMapType::value_type("SHORT_RANGE_POTENTIAL", SHORT_RANGE_POTENTIAL));
     Stats::statsMap.insert(StatsMapType::value_type("VANDERWAALS_POTENTIAL", VANDERWAALS_POTENTIAL));
     Stats::statsMap.insert(StatsMapType::value_type("ELECTROSTATIC_POTENTIAL", ELECTROSTATIC_POTENTIAL));
+    Stats::statsMap.insert(StatsMapType::value_type("METALLIC_POTENTIAL", METALLIC_POTENTIAL));
+    Stats::statsMap.insert(StatsMapType::value_type("HYDROGENBONDING_POTENTIAL", HYDROGENBONDING_POTENTIAL));
+    Stats::statsMap.insert(StatsMapType::value_type("SHORT_RANGE_POTENTIAL", SHORT_RANGE_POTENTIAL));
     Stats::statsMap.insert(StatsMapType::value_type("BOND_POTENTIAL", BOND_POTENTIAL));
     Stats::statsMap.insert(StatsMapType::value_type("BEND_POTENTIAL", BEND_POTENTIAL));
     Stats::statsMap.insert(StatsMapType::value_type("DIHEDRAL_POTENTIAL", DIHEDRAL_POTENTIAL));
     Stats::statsMap.insert(StatsMapType::value_type("INVERSION_POTENTIAL", INVERSION_POTENTIAL));
-    Stats::statsMap.insert(StatsMapType::value_type("VRAW", VRAW));    
-    Stats::statsMap.insert(StatsMapType::value_type("VHARM", VHARM));    
+    Stats::statsMap.insert(StatsMapType::value_type("RAW_POTENTIAL", RAW_POTENTIAL));    
+    Stats::statsMap.insert(StatsMapType::value_type("RESTRAINT_POTENTIAL", RESTRAINT_POTENTIAL));    
     Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_XX", PRESSURE_TENSOR_XX));    
     Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_XY", PRESSURE_TENSOR_XY));    
     Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_XZ", PRESSURE_TENSOR_XZ));    
@@ -179,7 +197,13 @@ namespace OpenMD {
     Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_Z", BOX_DIPOLE_Z));    
     Stats::statsMap.insert(StatsMapType::value_type("TAGGED_PAIR_DISTANCE", TAGGED_PAIR_DISTANCE));    
     Stats::statsMap.insert(StatsMapType::value_type("RNEMD_EXCHANGE_TOTAL", RNEMD_EXCHANGE_TOTAL));    
-    Stats::statsMap.insert(StatsMapType::value_type("SHADOWH", SHADOWH));    
+    Stats::statsMap.insert(StatsMapType::value_type("SHADOWH", SHADOWH)); 
+    Stats::statsMap.insert(StatsMapType::value_type("THERMAL_HELFANDMOMENT_X",THERMAL_HELFANDMOMENT_X));
+    Stats::statsMap.insert(StatsMapType::value_type("THERMAL_HELFANDMOMENT_Y",THERMAL_HELFANDMOMENT_Y));
+    Stats::statsMap.insert(StatsMapType::value_type("THERMAL_HELFANDMOMENT_Z",THERMAL_HELFANDMOMENT_Z));
+    Stats::statsMap.insert(StatsMapType::value_type("HEATFLUX_X",HEATFLUX_X));
+    Stats::statsMap.insert(StatsMapType::value_type("HEATFLUX_Y",HEATFLUX_Y));
+    Stats::statsMap.insert(StatsMapType::value_type("HEATFLUX_Z",HEATFLUX_Z));
   }
 
 }