--- trunk/src/brains/Stats.cpp 2010/01/08 17:15:27 1402 +++ trunk/src/brains/Stats.cpp 2011/09/23 20:52:24 1638 @@ -103,6 +103,9 @@ 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::units_[TIME] = "fs"; Stats::units_[TOTAL_ENERGY] = "kcal/mol"; @@ -141,6 +144,9 @@ 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::statsMap.insert(StatsMapType::value_type("TIME", TIME)); Stats::statsMap.insert(StatsMapType::value_type("TOTAL_ENERGY", TOTAL_ENERGY)); @@ -178,7 +184,10 @@ 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)); } }