ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/branches/development/src/brains/ForceManager.hpp
(Generate patch)

Comparing:
trunk/src/brains/ForceManager.hpp (file contents), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/brains/ForceManager.hpp (file contents), Revision 1503 by gezelter, Sat Oct 2 19:54:41 2010 UTC

# Line 52 | Line 52
52  
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 + #include "nonbonded/Morse.hpp"
61 + #include "nonbonded/Electrostatic.hpp"
62 +
63   namespace OpenMD {
64    /**
65     * @class ForceManager ForceManager.hpp "brains/ForceManager.hpp"
# Line 67 | Line 75 | namespace OpenMD {
75    class ForceManager {
76  
77    public:
78 <    ForceManager(SimInfo * info) : info_(info) {}
79 <        
78 >    
79 >    ForceManager(SimInfo * info);                          
80      virtual ~ForceManager() {}
81  
82      // public virtual functions should be avoided
83      /**@todo needs refactoring */
84 <    virtual void calcForces(bool needPotential, bool needStress);
84 >    virtual void calcForces();
85 >    virtual void init() {};
86  
78 –    virtual void init() {}
87    protected:
88  
89 <    virtual void preCalculation();
82 <        
89 >    virtual void preCalculation();        
90      virtual void calcShortRangeInteraction();
91 <
92 <    virtual void calcLongRangeInteraction(bool needPotential, bool needStress);
86 <
87 <    virtual void postCalculation(bool needStress);
91 >    virtual void calcLongRangeInteraction();
92 >    virtual void postCalculation();
93  
94      SimInfo * info_;        
90 –
95      std::map<Bend*, BendDataSet> bendDataSets;
96      std::map<Torsion*, TorsionDataSet> torsionDataSets;
97      std::map<Inversion*, InversionDataSet> inversionDataSets;
98      Mat3x3d tau;
99 +
100 +    bool NBforcesInitialized_;
101 +    LJ* lj_;
102 +    GB* gb_;
103 +    Sticky* sticky_;
104 +    EAM* eam_;
105 +    SC* sc_;
106 +    Morse* morse_;
107 +    Electrostatic* electrostatic_;
108      
109    };
110  

Comparing:
trunk/src/brains/ForceManager.hpp (property svn:keywords), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/brains/ForceManager.hpp (property svn:keywords), Revision 1503 by gezelter, Sat Oct 2 19:54:41 2010 UTC

# Line 0 | Line 1
1 + Author Id Revision Date

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines