| # | Line 76 | Line 76 | namespace OpenMD { | |
|---|---|---|
| 76 | // public virtual functions should be avoided | |
| 77 | /**@todo needs refactoring */ | |
| 78 | virtual void calcForces(); | |
| 79 | < | virtual void init(); |
| 79 | > | virtual void init() {}; |
| 80 | ||
| 81 | protected: | |
| 82 | ||
| # | Line 86 | Line 86 | namespace OpenMD { | |
| 86 | virtual void postCalculation(); | |
| 87 | ||
| 88 | SimInfo * info_; | |
| 89 | – | LJ* lj_; |
| 89 | std::map<Bend*, BendDataSet> bendDataSets; | |
| 90 | std::map<Torsion*, TorsionDataSet> torsionDataSets; | |
| 91 | std::map<Inversion*, InversionDataSet> inversionDataSets; | |
| 92 | Mat3x3d tau; | |
| 93 | ||
| 94 | bool NBforcesInitialized_; | |
| 95 | + | LJ* lj_; |
| 96 | ||
| 97 | }; | |
| 98 | ||
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