100 |
|
Stats::title_[BOX_DIPOLE_X] = "box dipole x"; |
101 |
|
Stats::title_[BOX_DIPOLE_Y] = "box dipole y"; |
102 |
|
Stats::title_[BOX_DIPOLE_Z] = "box dipole z"; |
103 |
< |
|
103 |
> |
Stats::title_[TAGGED_PAIR_DISTANCE] = "Tagged_Pair_Distance"; |
104 |
> |
Stats::title_[RNEMD_SWAP_TOTAL] = "RNEMD_exchange_total"; |
105 |
> |
|
106 |
|
Stats::units_[TIME] = "fs"; |
107 |
|
Stats::units_[TOTAL_ENERGY] = "kcal/mol"; |
108 |
|
Stats::units_[POTENTIAL_ENERGY] = "kcal/mol"; |
137 |
|
Stats::units_[BOX_DIPOLE_X] = "C*m"; |
138 |
|
Stats::units_[BOX_DIPOLE_Y] = "C*m"; |
139 |
|
Stats::units_[BOX_DIPOLE_Z] = "C*m"; |
140 |
+ |
Stats::units_[TAGGED_PAIR_DISTANCE] = "Ang"; |
141 |
+ |
Stats::units_[RNEMD_SWAP_TOTAL] = "Variable"; |
142 |
|
|
143 |
|
Stats::statsMap.insert(StatsMapType::value_type("TIME", TIME)); |
144 |
|
Stats::statsMap.insert(StatsMapType::value_type("TOTAL_ENERGY", TOTAL_ENERGY)); |
147 |
|
Stats::statsMap.insert(StatsMapType::value_type("TEMPERATURE", TEMPERATURE)); |
148 |
|
Stats::statsMap.insert(StatsMapType::value_type("PRESSURE", PRESSURE)); |
149 |
|
Stats::statsMap.insert(StatsMapType::value_type("VOLUME", VOLUME)); |
150 |
+ |
Stats::statsMap.insert(StatsMapType::value_type("HULLVOLUME", HULLVOLUME)); |
151 |
+ |
Stats::statsMap.insert(StatsMapType::value_type("GYRVOLUME", GYRVOLUME)); |
152 |
|
Stats::statsMap.insert(StatsMapType::value_type("CONSERVED_QUANTITY", CONSERVED_QUANTITY)); |
153 |
|
Stats::statsMap.insert(StatsMapType::value_type("TRANSLATIONAL_KINETIC", TRANSLATIONAL_KINETIC)); |
154 |
|
Stats::statsMap.insert(StatsMapType::value_type("ROTATIONAL_KINETIC", ROTATIONAL_KINETIC)); |
174 |
|
Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_X", BOX_DIPOLE_X)); |
175 |
|
Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_Y", BOX_DIPOLE_Y)); |
176 |
|
Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_Z", BOX_DIPOLE_Z)); |
177 |
+ |
Stats::statsMap.insert(StatsMapType::value_type("TAGGED_PAIR_DISTANCE", TAGGED_PAIR_DISTANCE)); |
178 |
+ |
Stats::statsMap.insert(StatsMapType::value_type("RNEMD_SWAP_TOTAL", RNEMD_SWAP_TOTAL)); |
179 |
|
} |
180 |
|
|
181 |
|
} |