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_XX] = "P_xx"; |
90 |
> |
Stats::title_[PRESSURE_TENSOR_XY] = "P_xy"; |
91 |
> |
Stats::title_[PRESSURE_TENSOR_XZ] = "P_xz"; |
92 |
> |
Stats::title_[PRESSURE_TENSOR_YX] = "P_yx"; |
93 |
> |
Stats::title_[PRESSURE_TENSOR_YY] = "P_yy"; |
94 |
> |
Stats::title_[PRESSURE_TENSOR_YZ] = "P_yz"; |
95 |
> |
Stats::title_[PRESSURE_TENSOR_ZX] = "P_zx"; |
96 |
> |
Stats::title_[PRESSURE_TENSOR_ZY] = "P_zy"; |
97 |
> |
Stats::title_[PRESSURE_TENSOR_ZZ] = "P_zz"; |
98 |
> |
Stats::title_[BOX_DIPOLE_X] = "box dipole x"; |
99 |
> |
Stats::title_[BOX_DIPOLE_Y] = "box dipole y"; |
100 |
> |
Stats::title_[BOX_DIPOLE_Z] = "box dipole z"; |
101 |
|
|
102 |
|
Stats::units_[TIME] = "fs"; |
103 |
|
Stats::units_[TOTAL_ENERGY] = "kcal/mol"; |
119 |
|
Stats::units_[IMPROPER_POTENTIAL] = "kcal/mol"; |
120 |
|
Stats::units_[VRAW] = "kcal/mol"; |
121 |
|
Stats::units_[VHARM] = "kcal/mol"; |
122 |
< |
Stats::units_[PRESSURE_TENSOR_X] = "amu*fs^-2*Ang^-1"; |
123 |
< |
Stats::units_[PRESSURE_TENSOR_Y] = "amu*fs^-2*Ang^-1"; |
124 |
< |
Stats::units_[PRESSURE_TENSOR_Z] = "amu*fs^-2*Ang^-1"; |
122 |
> |
Stats::units_[PRESSURE_TENSOR_XX] = "amu*fs^-2*Ang^-1"; |
123 |
> |
Stats::units_[PRESSURE_TENSOR_XY] = "amu*fs^-2*Ang^-1"; |
124 |
> |
Stats::units_[PRESSURE_TENSOR_XZ] = "amu*fs^-2*Ang^-1"; |
125 |
> |
Stats::units_[PRESSURE_TENSOR_YX] = "amu*fs^-2*Ang^-1"; |
126 |
> |
Stats::units_[PRESSURE_TENSOR_YY] = "amu*fs^-2*Ang^-1"; |
127 |
> |
Stats::units_[PRESSURE_TENSOR_YZ] = "amu*fs^-2*Ang^-1"; |
128 |
> |
Stats::units_[PRESSURE_TENSOR_ZX] = "amu*fs^-2*Ang^-1"; |
129 |
> |
Stats::units_[PRESSURE_TENSOR_ZY] = "amu*fs^-2*Ang^-1"; |
130 |
> |
Stats::units_[PRESSURE_TENSOR_ZZ] = "amu*fs^-2*Ang^-1"; |
131 |
> |
Stats::units_[BOX_DIPOLE_X] = "C*m"; |
132 |
> |
Stats::units_[BOX_DIPOLE_Y] = "C*m"; |
133 |
> |
Stats::units_[BOX_DIPOLE_Z] = "C*m"; |
134 |
|
|
135 |
|
Stats::statsMap.insert(StatsMapType::value_type("TIME", TIME)); |
136 |
|
Stats::statsMap.insert(StatsMapType::value_type("TOTAL_ENERGY", TOTAL_ENERGY)); |
152 |
|
Stats::statsMap.insert(StatsMapType::value_type("IMPROPER_POTENTIAL", IMPROPER_POTENTIAL)); |
153 |
|
Stats::statsMap.insert(StatsMapType::value_type("VRAW", VRAW)); |
154 |
|
Stats::statsMap.insert(StatsMapType::value_type("VHARM", VHARM)); |
155 |
< |
Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_X", PRESSURE_TENSOR_X)); |
156 |
< |
Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_Y", PRESSURE_TENSOR_Y)); |
157 |
< |
Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_Z", PRESSURE_TENSOR_Z)); |
155 |
> |
Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_XX", PRESSURE_TENSOR_XX)); |
156 |
> |
Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_XY", PRESSURE_TENSOR_XY)); |
157 |
> |
Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_XZ", PRESSURE_TENSOR_XZ)); |
158 |
> |
Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_YX", PRESSURE_TENSOR_YX)); |
159 |
> |
Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_YY", PRESSURE_TENSOR_YY)); |
160 |
> |
Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_YZ", PRESSURE_TENSOR_YZ)); |
161 |
> |
Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_ZX", PRESSURE_TENSOR_ZX)); |
162 |
> |
Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_ZY", PRESSURE_TENSOR_ZY)); |
163 |
> |
Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_ZZ", PRESSURE_TENSOR_ZZ)); |
164 |
> |
Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_X", BOX_DIPOLE_X)); |
165 |
> |
Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_Y", BOX_DIPOLE_Y)); |
166 |
> |
Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_Z", BOX_DIPOLE_Z)); |
167 |
|
} |
168 |
|
|
169 |
|
} |