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root/OpenMD/branches/development/src/brains/Stats.cpp
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Comparing branches/development/src/brains/Stats.cpp (file contents):
Revision 1710 by gezelter, Fri May 18 21:44:02 2012 UTC vs.
Revision 1723 by gezelter, Thu May 24 20:59:54 2012 UTC

# Line 104 | Line 104 | namespace OpenMD {
104      Stats::title_[BOX_DIPOLE_Z] = "box dipole z";
105      Stats::title_[TAGGED_PAIR_DISTANCE] = "Tagged_Pair_Distance";
106      Stats::title_[RNEMD_EXCHANGE_TOTAL] = "RNEMD_exchange_total";
107 <    
107 >    Stats::title_[THERMAL_HELFANDMOMENT_X] = "Thermal Helfand Moment x";
108 >    Stats::title_[THERMAL_HELFANDMOMENT_Y] = "Thermal Helfand Moment y";
109 >    Stats::title_[THERMAL_HELFANDMOMENT_Z] = "Thermal Helfand Moment z";
110 >    Stats::title_[HEATFLUX_X]= "Heat Flux x component";  
111 >    Stats::title_[HEATFLUX_Y]= "Heat Flux y component";  
112 >    Stats::title_[HEATFLUX_Z]= "Heat Flux z component";  
113 >
114      Stats::units_[TIME] = "fs";
115      Stats::units_[TOTAL_ENERGY] = "kcal/mol";
116      Stats::units_[POTENTIAL_ENERGY] = "kcal/mol";
# Line 142 | Line 148 | namespace OpenMD {
148      Stats::units_[BOX_DIPOLE_Z] = "C*m";
149      Stats::units_[TAGGED_PAIR_DISTANCE] = "Ang";
150      Stats::units_[RNEMD_EXCHANGE_TOTAL] = "Variable";
151 +    Stats::units_[THERMAL_HELFANDMOMENT_X] = "Ang*kcal/mol";
152 +    Stats::units_[THERMAL_HELFANDMOMENT_Y] = "Ang*kcal/mol";
153 +    Stats::units_[THERMAL_HELFANDMOMENT_Z] = "Ang*kcal/mol";
154 +    Stats::units_[HEATFLUX_X]="amu/fs^3";
155 +    Stats::units_[HEATFLUX_Y]="amu/fs^3";      
156 +    Stats::units_[HEATFLUX_Z]="amu/fs^3";      
157  
158      Stats::statsMap.insert(StatsMapType::value_type("TIME", TIME));
159      Stats::statsMap.insert(StatsMapType::value_type("TOTAL_ENERGY", TOTAL_ENERGY));
# Line 179 | Line 191 | namespace OpenMD {
191      Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_Z", BOX_DIPOLE_Z));    
192      Stats::statsMap.insert(StatsMapType::value_type("TAGGED_PAIR_DISTANCE", TAGGED_PAIR_DISTANCE));    
193      Stats::statsMap.insert(StatsMapType::value_type("RNEMD_EXCHANGE_TOTAL", RNEMD_EXCHANGE_TOTAL));    
194 <    Stats::statsMap.insert(StatsMapType::value_type("SHADOWH", SHADOWH));    
194 >    Stats::statsMap.insert(StatsMapType::value_type("SHADOWH", SHADOWH));
195 >    Stats::statsMap.insert(StatsMapType::value_type("THERMAL_HELFANDMOMENT_X",THERMAL_HELFANDMOMENT_X));
196 >    Stats::statsMap.insert(StatsMapType::value_type("THERMAL_HELFANDMOMENT_Y",THERMAL_HELFANDMOMENT_Y));
197 >    Stats::statsMap.insert(StatsMapType::value_type("THERMAL_HELFANDMOMENT_Z",THERMAL_HELFANDMOMENT_Z));
198 >    Stats::statsMap.insert(StatsMapType::value_type("HEATFLUX_X",HEATFLUX_X));
199 >    Stats::statsMap.insert(StatsMapType::value_type("HEATFLUX_Y",HEATFLUX_Y));
200 >    Stats::statsMap.insert(StatsMapType::value_type("HEATFLUX_Z",HEATFLUX_Z));
201    }
202  
203   }

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