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Comparing branches/development/src/nonbonded/InteractionManager.hpp (file contents):
Revision 1576 by gezelter, Wed Jun 8 16:05:07 2011 UTC vs.
Revision 1787 by gezelter, Wed Aug 29 18:13:11 2012 UTC

# Line 36 | Line 36
36   * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37   * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38   * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
39 < * [4]  Vardeman & Gezelter, in progress (2009).                        
39 > * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40 > * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
42  
43   #ifndef NONBONDED_INTERACTIONMANAGER_HPP
# Line 52 | Line 53
53   #include "nonbonded/Morse.hpp"
54   #include "nonbonded/Electrostatic.hpp"
55   #include "nonbonded/MAW.hpp"
56 + #include "nonbonded/RepulsivePower.hpp"
57   #include "nonbonded/SwitchingFunction.hpp"
58  
59   using namespace std;
# Line 77 | Line 79 | namespace OpenMD {
79      void doPair(InteractionData idat);    
80      void doSkipCorrection(InteractionData idat);
81      void doSelfCorrection(SelfData sdat);
82 +    void setCutoffRadius(RealType rCut);
83      RealType getSuggestedCutoffRadius(int *atid1);  
84      RealType getSuggestedCutoffRadius(AtomType *atype);
85      
86    private:
87 <    bool initialized_;
87 >    bool initialized_;
88  
89      void setupElectrostatics();
90  
# Line 93 | Line 96 | namespace OpenMD {
96      SC* sc_;
97      Morse* morse_;
98      Electrostatic* electrostatic_;
99 +    RepulsivePower* repulsivePower_;
100      MAW* maw_;
101      
102      map<int, AtomType*> typeMap_;

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