| # | Line 46 | Line 46 | |
|---|---|---|
| 46 | #include "optimization/ObjectiveFunction.hpp" | |
| 47 | #include "brains/ForceManager.hpp" | |
| 48 | #include "brains/Thermo.hpp" | |
| 49 | < | #include "constraints/Rattle.hpp" | 
| 49 | > | #include "constraints/Shake.hpp" | 
| 50 | ||
| 51 | using namespace QuantLib; | |
| 52 | namespace OpenMD { | |
| # | Line 71 | Line 71 | namespace OpenMD { | |
| 71 | ||
| 72 | SimInfo* info_; | |
| 73 | ForceManager* forceMan_; | |
| 74 | < | Rattle* rattle_; | 
| 74 | > | Shake* shake_; | 
| 75 | Thermo thermo; | |
| 76 | bool usingRattle_; | |
| 77 | }; | |
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