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

Comparing branches/development/src/nonbonded/InteractionManager.hpp (file contents):
Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC vs.
Revision 1868 by gezelter, Tue Apr 30 15:56:54 2013 UTC

# Line 35 | Line 35
35   *                                                                      
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).          
38 > * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
39   * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40   * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
# Line 61 | Line 61 | namespace OpenMD {
61   namespace OpenMD {
62  
63    /**
64 <   * @class InteractionManager InteractionManager is responsible for
64 >   * @class InteractionManager
65 >   * InteractionManager is responsible for
66     * keeping track of the non-bonded interactions (C++)
67     */
68    class InteractionManager {
69  
70    public:
71      InteractionManager();
72 <    ~InteractionManager();
72 >    virtual ~InteractionManager();
73      void setSimInfo(SimInfo* info) {info_ = info;}
74      void initialize();
75  
# Line 80 | Line 81 | namespace OpenMD {
81      void doSkipCorrection(InteractionData idat);
82      void doSelfCorrection(SelfData sdat);
83      void setCutoffRadius(RealType rCut);
83 –    void setSwitchingRadius(RealType rSwitch);
84      RealType getSuggestedCutoffRadius(int *atid1);  
85      RealType getSuggestedCutoffRadius(AtomType *atype);
86      

Diff Legend

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