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root/OpenMD/branches/development/src/nonbonded/SC.cpp
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Comparing branches/development/src/nonbonded/SC.cpp (file contents):
Revision 1711 by gezelter, Sat May 19 02:58:35 2012 UTC vs.
Revision 1869 by gezelter, Tue Apr 30 17:03:03 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 54 | Line 54 | namespace OpenMD {
54    SC::SC() : name_("SC"), initialized_(false), forceField_(NULL),
55               scRcut_(0.0), np_(3000) {}
56    
57 +  SC::~SC() {
58 +    initialized_ = false;
59 +
60 +    MixingMap.clear();
61 +    SCMap.clear();
62 +    SClist.clear();
63 +  }
64 +        
65    RealType SC::getM(AtomType* atomType1, AtomType* atomType2) {    
66      SuttonChenAdapter sca1 = SuttonChenAdapter(atomType1);
67      SuttonChenAdapter sca2 = SuttonChenAdapter(atomType2);

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