| 85 |
|
Stats::title_[BOND_POTENTIAL] = "Bond Potential"; |
| 86 |
|
Stats::title_[BEND_POTENTIAL] = "Bend Potential"; |
| 87 |
|
Stats::title_[DIHEDRAL_POTENTIAL] = "Dihedral Potential"; |
| 88 |
< |
Stats::title_[IMPROPER_POTENTIAL] = "Improper Potential"; |
| 88 |
> |
Stats::title_[INVERSION_POTENTIAL] = "Inversion Potential"; |
| 89 |
|
Stats::title_[VRAW] = "Raw Potential"; |
| 90 |
|
Stats::title_[VHARM] = "Harmonic Potential"; |
| 91 |
|
Stats::title_[PRESSURE_TENSOR_XX] = "P_xx"; |
| 120 |
|
Stats::units_[BOND_POTENTIAL] = "kcal/mol"; |
| 121 |
|
Stats::units_[BEND_POTENTIAL] = "kcal/mol"; |
| 122 |
|
Stats::units_[DIHEDRAL_POTENTIAL] = "kcal/mol"; |
| 123 |
< |
Stats::units_[IMPROPER_POTENTIAL] = "kcal/mol"; |
| 123 |
> |
Stats::units_[INVERSION_POTENTIAL] = "kcal/mol"; |
| 124 |
|
Stats::units_[VRAW] = "kcal/mol"; |
| 125 |
|
Stats::units_[VHARM] = "kcal/mol"; |
| 126 |
|
Stats::units_[PRESSURE_TENSOR_XX] = "amu*fs^-2*Ang^-1"; |
| 153 |
|
Stats::statsMap.insert(StatsMapType::value_type("BOND_POTENTIAL", BOND_POTENTIAL)); |
| 154 |
|
Stats::statsMap.insert(StatsMapType::value_type("BEND_POTENTIAL", BEND_POTENTIAL)); |
| 155 |
|
Stats::statsMap.insert(StatsMapType::value_type("DIHEDRAL_POTENTIAL", DIHEDRAL_POTENTIAL)); |
| 156 |
< |
Stats::statsMap.insert(StatsMapType::value_type("IMPROPER_POTENTIAL", IMPROPER_POTENTIAL)); |
| 156 |
> |
Stats::statsMap.insert(StatsMapType::value_type("INVERSION_POTENTIAL", INVERSION_POTENTIAL)); |
| 157 |
|
Stats::statsMap.insert(StatsMapType::value_type("VRAW", VRAW)); |
| 158 |
|
Stats::statsMap.insert(StatsMapType::value_type("VHARM", VHARM)); |
| 159 |
|
Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_XX", PRESSURE_TENSOR_XX)); |