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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 1485 by gezelter, Wed Jul 28 19:52:00 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  
60   namespace OpenMD {
61    /**
# Line 76 | Line 79 | namespace OpenMD {
79      // public virtual functions should be avoided
80      /**@todo needs refactoring */
81      virtual void calcForces();
82 <    virtual void init();
82 >    virtual void init() {};
83  
84    protected:
85  
# Line 86 | Line 89 | namespace OpenMD {
89      virtual void postCalculation();
90  
91      SimInfo * info_;        
89 –    LJ* lj_;
92      std::map<Bend*, BendDataSet> bendDataSets;
93      std::map<Torsion*, TorsionDataSet> torsionDataSets;
94      std::map<Inversion*, InversionDataSet> inversionDataSets;
95      Mat3x3d tau;
96  
97      bool NBforcesInitialized_;
98 +    LJ* lj_;
99 +    GB* gb_;
100 +    Sticky* sticky_;
101 +    EAM* eam_;
102      
103    };
104  

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