| 85 |
|
bool initialized_; |
| 86 |
|
bool doParticlePot_; |
| 87 |
|
bool doElectricField_; |
| 88 |
+ |
bool doSitePotential_; |
| 89 |
|
bool doHeatFlux_; |
| 90 |
|
bool doLongRangeCorrections_; |
| 91 |
|
bool usePeriodicBoundaryConditions_; |
| 114 |
|
map<Bend*, BendDataSet> bendDataSets; |
| 115 |
|
map<Torsion*, TorsionDataSet> torsionDataSets; |
| 116 |
|
map<Inversion*, InversionDataSet> inversionDataSets; |
| 117 |
< |
vector<pair<int, int> > neighborList; |
| 117 |
> |
vector<pair<int, int> > neighborList_; |
| 118 |
|
|
| 119 |
|
vector<RealType> vdwScale_; |
| 120 |
|
vector<RealType> electrostaticScale_; |