| # | Line 2 | Line 2 | |
|---|---|---|
| 2 | #define _INTEGRATOR_H_ | |
| 3 | ||
| 4 | #include "Atom.hpp" | |
| 5 | + | #include "Molecule.hpp" |
| 6 | #include "SRI.hpp" | |
| 7 | #include "AbstractClasses.hpp" | |
| 8 | #include "SimInfo.hpp" | |
| # | Line 173 | Line 174 | class NPTim : public Integrator{ (protected) | |
| 174 | ||
| 175 | protected: | |
| 176 | ||
| 177 | < | virtual void moveA( void ); |
| 177 | > | virtual void moveA( void ); |
| 178 | virtual void moveB( void ); | |
| 179 | ||
| 180 | virtual int readyCheck(); | |
| 181 | ||
| 182 | + | Molecule* myMolecules; |
| 183 | + | Atom** myAtoms; |
| 184 | + | |
| 185 | // chi and eta are the propagated degrees of freedom | |
| 186 | ||
| 187 | double chi; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |