--- branches/development/src/brains/Stats.cpp 2012/05/18 21:44:02 1710 +++ branches/development/src/brains/Stats.cpp 2012/05/24 20:59:54 1723 @@ -104,7 +104,13 @@ 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"; @@ -142,6 +148,12 @@ 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)); @@ -179,7 +191,13 @@ 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)); } }