# | Line 2 | Line 2 | |
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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; |
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+ | Added lines |
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