86 |
|
Stats::title_[IMPROPER_POTENTIAL] = "Improper Potential"; |
87 |
|
Stats::title_[VRAW] = "Raw Potential"; |
88 |
|
Stats::title_[VHARM] = "Harmonic Potential"; |
89 |
< |
Stats::title_[PRESSURE_TENSOR_X] = "presure tensor x"; |
90 |
< |
Stats::title_[PRESSURE_TENSOR_Y] = "presure tensor y"; |
91 |
< |
Stats::title_[PRESSURE_TENSOR_Z] = "presure tensor z"; |
89 |
> |
Stats::title_[PRESSURE_TENSOR_X] = "pressure tensor x"; |
90 |
> |
Stats::title_[PRESSURE_TENSOR_Y] = "pressure tensor y"; |
91 |
> |
Stats::title_[PRESSURE_TENSOR_Z] = "pressure tensor z"; |
92 |
> |
Stats::title_[BOX_DIPOLE_X] = "box dipole x"; |
93 |
> |
Stats::title_[BOX_DIPOLE_Y] = "box dipole y"; |
94 |
> |
Stats::title_[BOX_DIPOLE_Z] = "box dipole z"; |
95 |
|
|
96 |
|
Stats::units_[TIME] = "fs"; |
97 |
|
Stats::units_[TOTAL_ENERGY] = "kcal/mol"; |
116 |
|
Stats::units_[PRESSURE_TENSOR_X] = "amu*fs^-2*Ang^-1"; |
117 |
|
Stats::units_[PRESSURE_TENSOR_Y] = "amu*fs^-2*Ang^-1"; |
118 |
|
Stats::units_[PRESSURE_TENSOR_Z] = "amu*fs^-2*Ang^-1"; |
119 |
+ |
Stats::units_[BOX_DIPOLE_X] = "C*m"; |
120 |
+ |
Stats::units_[BOX_DIPOLE_Y] = "C*m"; |
121 |
+ |
Stats::units_[BOX_DIPOLE_Z] = "C*m"; |
122 |
|
|
123 |
|
Stats::statsMap.insert(StatsMapType::value_type("TIME", TIME)); |
124 |
|
Stats::statsMap.insert(StatsMapType::value_type("TOTAL_ENERGY", TOTAL_ENERGY)); |
143 |
|
Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_X", PRESSURE_TENSOR_X)); |
144 |
|
Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_Y", PRESSURE_TENSOR_Y)); |
145 |
|
Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_Z", PRESSURE_TENSOR_Z)); |
146 |
+ |
Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_X", BOX_DIPOLE_X)); |
147 |
+ |
Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_Y", BOX_DIPOLE_Y)); |
148 |
+ |
Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_Z", BOX_DIPOLE_Z)); |
149 |
|
} |
150 |
|
|
151 |
|
} |