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

Comparing branches/development/src/brains/ForceManager.hpp (file contents):
Revision 1723 by gezelter, Thu May 24 20:59:54 2012 UTC vs.
Revision 1849 by gezelter, Wed Feb 20 13:52:51 2013 UTC

# Line 44 | Line 44
44   * @file ForceManager.hpp
45   * @author tlin
46   * @date 11/09/2004
47 – * @time 10:36am
47   * @version 1.0
48   */
49  
# Line 56 | Line 55
55   #include "nonbonded/Cutoffs.hpp"
56   #include "nonbonded/SwitchingFunction.hpp"
57   #include "nonbonded/InteractionManager.hpp"
58 + #include "perturbations/Perturbation.hpp"
59   #include "parallel/ForceDecomposition.hpp"
60  
61   #define PREPAIR_LOOP 0
# Line 83 | Line 83 | namespace OpenMD {
83    protected:
84      bool initialized_;
85      bool doParticlePot_;
86 +    bool doElectricField_;
87      bool doHeatFlux_;
88 +    bool doLongRangeCorrections_;
89  
90      virtual void setupCutoffs();
91      virtual void preCalculation();        
# Line 103 | Line 105 | namespace OpenMD {
105      CutoffMethod cutoffMethod_;/**< Cutoff Method for most non-bonded interactions */
106      CutoffPolicy cutoffPolicy_;/**< Cutoff Policy for non-bonded interactions */
107  
108 +    set<AtomType*> atomTypes_;
109 +    vector<pair<AtomType*, AtomType*> > interactions_;
110      map<Bend*, BendDataSet> bendDataSets;
111      map<Torsion*, TorsionDataSet> torsionDataSets;
112      map<Inversion*, InversionDataSet> inversionDataSets;
# Line 112 | Line 116 | namespace OpenMD {
116      vector<RealType> electrostaticScale_;
117  
118      Mat3x3d stressTensor;
119 +
120 +    vector<Perturbation*> perturbations_;
121    };
122   }
123   #endif //BRAINS_FORCEMANAGER_HPP

Diff Legend

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