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root/OpenMD/branches/devel_omp/src/brains/ForceManager.hpp
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Comparing branches/development/src/brains/ForceManager.hpp (file contents):
Revision 1469 by gezelter, Mon Jul 19 14:07:59 2010 UTC vs.
Revision 1489 by gezelter, Tue Aug 10 18:34:59 2010 UTC

# Line 53 | Line 53
53   #include "brains/SimInfo.hpp"
54   #include "primitives/Molecule.hpp"
55   #include "nonbonded/LJ.hpp"
56 + #include "nonbonded/GB.hpp"
57 + #include "nonbonded/Sticky.hpp"
58 + #include "nonbonded/EAM.hpp"
59 + #include "nonbonded/SC.hpp"
60  
61   namespace OpenMD {
62    /**
# Line 76 | Line 80 | namespace OpenMD {
80      // public virtual functions should be avoided
81      /**@todo needs refactoring */
82      virtual void calcForces();
83 <    virtual void init();
83 >    virtual void init() {};
84  
85    protected:
86  
# Line 86 | Line 90 | namespace OpenMD {
90      virtual void postCalculation();
91  
92      SimInfo * info_;        
89 –    LJ* lj_;
93      std::map<Bend*, BendDataSet> bendDataSets;
94      std::map<Torsion*, TorsionDataSet> torsionDataSets;
95      std::map<Inversion*, InversionDataSet> inversionDataSets;
96      Mat3x3d tau;
97  
98      bool NBforcesInitialized_;
99 +    LJ* lj_;
100 +    GB* gb_;
101 +    Sticky* sticky_;
102 +    EAM* eam_;
103 +    SC* sc_;
104      
105    };
106  

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