| # | Line 86 | Line 86 | namespace OpenMD { | |
|---|---|---|
| 86 | virtual void preCalculation(); | |
| 87 | virtual void shortRangeInteractions(); | |
| 88 | virtual void longRangeInteractions(); | |
| 89 | + | virtual void longRangeInteractionsRapaport(); |
| 90 | virtual void postCalculation(); | |
| 91 | ||
| 92 | SimInfo* info_; | |
| # | Line 107 | Line 108 | namespace OpenMD { | |
| 108 | map<Inversion*, InversionDataSet> inversionDataSets; | |
| 109 | vector<pair<int, int> > neighborList; | |
| 110 | ||
| 111 | + | /* Rapaport the neighbor matrix W_m_i */ |
| 112 | + | vector<vector<int> >neighborMatW; |
| 113 | + | |
| 114 | vector<RealType> vdwScale_; | |
| 115 | vector<RealType> electrostaticScale_; | |
| 116 | ||
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |