--- trunk/src/brains/Stats.cpp 2007/07/09 21:03:53 1153 +++ trunk/src/brains/Stats.cpp 2009/05/08 19:47:05 1341 @@ -85,7 +85,7 @@ namespace oopse { Stats::title_[BOND_POTENTIAL] = "Bond Potential"; Stats::title_[BEND_POTENTIAL] = "Bend Potential"; Stats::title_[DIHEDRAL_POTENTIAL] = "Dihedral Potential"; - Stats::title_[IMPROPER_POTENTIAL] = "Improper Potential"; + Stats::title_[INVERSION_POTENTIAL] = "Inversion Potential"; Stats::title_[VRAW] = "Raw Potential"; Stats::title_[VHARM] = "Harmonic Potential"; Stats::title_[PRESSURE_TENSOR_XX] = "P_xx"; @@ -100,7 +100,9 @@ namespace oopse { Stats::title_[BOX_DIPOLE_X] = "box dipole x"; Stats::title_[BOX_DIPOLE_Y] = "box dipole y"; Stats::title_[BOX_DIPOLE_Z] = "box dipole z"; - + Stats::title_[TAGGED_PAIR_DISTANCE] = "Tagged_Pair_Distance"; + Stats::title_[RNEMD_SWAP_TOTAL] = "RNEMD_exchange_total"; + Stats::units_[TIME] = "fs"; Stats::units_[TOTAL_ENERGY] = "kcal/mol"; Stats::units_[POTENTIAL_ENERGY] = "kcal/mol"; @@ -120,7 +122,7 @@ namespace oopse { Stats::units_[BOND_POTENTIAL] = "kcal/mol"; Stats::units_[BEND_POTENTIAL] = "kcal/mol"; Stats::units_[DIHEDRAL_POTENTIAL] = "kcal/mol"; - Stats::units_[IMPROPER_POTENTIAL] = "kcal/mol"; + Stats::units_[INVERSION_POTENTIAL] = "kcal/mol"; Stats::units_[VRAW] = "kcal/mol"; Stats::units_[VHARM] = "kcal/mol"; Stats::units_[PRESSURE_TENSOR_XX] = "amu*fs^-2*Ang^-1"; @@ -135,6 +137,8 @@ namespace oopse { Stats::units_[BOX_DIPOLE_X] = "C*m"; Stats::units_[BOX_DIPOLE_Y] = "C*m"; Stats::units_[BOX_DIPOLE_Z] = "C*m"; + Stats::units_[TAGGED_PAIR_DISTANCE] = "Ang"; + Stats::units_[RNEMD_SWAP_TOTAL] = "Variable"; Stats::statsMap.insert(StatsMapType::value_type("TIME", TIME)); Stats::statsMap.insert(StatsMapType::value_type("TOTAL_ENERGY", TOTAL_ENERGY)); @@ -143,6 +147,8 @@ namespace oopse { Stats::statsMap.insert(StatsMapType::value_type("TEMPERATURE", TEMPERATURE)); Stats::statsMap.insert(StatsMapType::value_type("PRESSURE", PRESSURE)); Stats::statsMap.insert(StatsMapType::value_type("VOLUME", VOLUME)); + Stats::statsMap.insert(StatsMapType::value_type("HULLVOLUME", HULLVOLUME)); + Stats::statsMap.insert(StatsMapType::value_type("GYRVOLUME", GYRVOLUME)); Stats::statsMap.insert(StatsMapType::value_type("CONSERVED_QUANTITY", CONSERVED_QUANTITY)); Stats::statsMap.insert(StatsMapType::value_type("TRANSLATIONAL_KINETIC", TRANSLATIONAL_KINETIC)); Stats::statsMap.insert(StatsMapType::value_type("ROTATIONAL_KINETIC", ROTATIONAL_KINETIC)); @@ -153,7 +159,7 @@ namespace oopse { 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("IMPROPER_POTENTIAL", IMPROPER_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("PRESSURE_TENSOR_XX", PRESSURE_TENSOR_XX)); @@ -168,6 +174,8 @@ namespace oopse { Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_X", BOX_DIPOLE_X)); Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_Y", BOX_DIPOLE_Y)); 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_SWAP_TOTAL", RNEMD_SWAP_TOTAL)); } }