| 86 |
|
virtual void preCalculation(); |
| 87 |
|
virtual void shortRangeInteractions(); |
| 88 |
|
virtual void longRangeInteractions(); |
| 89 |
+ |
virtual void longRangeInteractionsRapaport(); |
| 90 |
|
virtual void postCalculation(); |
| 91 |
|
|
| 92 |
|
SimInfo* info_; |
| 108 |
|
map<Inversion*, InversionDataSet> inversionDataSets; |
| 109 |
|
vector<pair<int, int> > neighborList; |
| 110 |
|
|
| 111 |
+ |
/* Rapaport the neighbor matrix W_m_i */ |
| 112 |
+ |
vector<vector<CutoffGroup *> >neighborMatW; |
| 113 |
+ |
|
| 114 |
|
vector<RealType> vdwScale_; |
| 115 |
|
vector<RealType> electrostaticScale_; |
| 116 |
|
|