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root/OpenMD/trunk/src/primitives/Inversion.hpp
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Comparing trunk/src/primitives/Inversion.hpp (file contents):
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC vs.
Revision 1890 by gezelter, Tue Jun 18 21:06:25 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 66 | Line 66 | namespace OpenMD {
66      InversionData curr;
67    };
68  
69 –  
69    /**
70     * @class Inversion Inversion.hpp "primitives/Inversion.hpp"
71     */
# Line 108 | Line 107 | namespace OpenMD {
107      Atom* atom4_;
108  
109      InversionType* inversionType_;
110 +    InversionKey inversionKey_;
111  
112      RealType potential_;
113    };    

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