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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 1480 by gezelter, Mon Jul 26 19:50:53 2010 UTC

# Line 53 | Line 53
53   #include "brains/SimInfo.hpp"
54   #include "primitives/Molecule.hpp"
55   #include "nonbonded/LJ.hpp"
56 + #include "nonbonded/EAM.hpp"
57  
58   namespace OpenMD {
59    /**
# Line 76 | Line 77 | namespace OpenMD {
77      // public virtual functions should be avoided
78      /**@todo needs refactoring */
79      virtual void calcForces();
80 <    virtual void init();
80 >    virtual void init() {};
81  
82    protected:
83  
# Line 86 | Line 87 | namespace OpenMD {
87      virtual void postCalculation();
88  
89      SimInfo * info_;        
89 –    LJ* lj_;
90      std::map<Bend*, BendDataSet> bendDataSets;
91      std::map<Torsion*, TorsionDataSet> torsionDataSets;
92      std::map<Inversion*, InversionDataSet> inversionDataSets;
93      Mat3x3d tau;
94  
95      bool NBforcesInitialized_;
96 +    LJ* lj_;
97 +    EAM* eam_;
98      
99    };
100  

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