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root/OpenMD/trunk/src/flucq/FluctuatingChargeObjectiveFunction.cpp
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Comparing:
branches/development/src/flucq/FluctuatingChargeObjectiveFunction.cpp (file contents), Revision 1761 by gezelter, Fri Jun 22 20:01:37 2012 UTC vs.
trunk/src/flucq/FluctuatingChargeObjectiveFunction.cpp (file contents), Revision 1929 by gezelter, Mon Aug 19 13:12:00 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    }
62    
63    void FluctuatingChargeObjectiveFunction::gradient(DynamicVector<RealType>& grad, const DynamicVector<RealType>& x) {
64 –    int shakeStatus;
64      
65      setCoor(x);    
66      

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