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root/OpenMD/branches/development/src/brains/ForceManager.hpp
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Comparing branches/development/src/brains/ForceManager.hpp (file contents):
Revision 1848 by gezelter, Mon Oct 22 20:42:10 2012 UTC vs.
Revision 1849 by gezelter, Wed Feb 20 13:52:51 2013 UTC

# Line 85 | Line 85 | namespace OpenMD {
85      bool doParticlePot_;
86      bool doElectricField_;
87      bool doHeatFlux_;
88 +    bool doLongRangeCorrections_;
89  
90      virtual void setupCutoffs();
91      virtual void preCalculation();        
# Line 104 | 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;

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