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root/OpenMD/trunk/src/integrators/LangevinHullDynamics.cpp
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Comparing trunk/src/integrators/LangevinHullDynamics.cpp (file contents):
Revision 1878 by gezelter, Wed Aug 22 02:28:28 2012 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 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 44 | Line 44
44   * @file LangevinDynamics.cpp
45   * @author tlin
46   * @date 11/08/2004
47 – * @time 15:13am
47   * @version 1.0
48   */
49  
# Line 113 | Line 112 | namespace OpenMD {
112      
113      flucQ_->moveA();
114      rattle_->constraintA();
116 –    
115    }    
116  
117    void LangevinHullDynamics::moveB(){
# Line 165 | Line 163 | namespace OpenMD {
163      rattle_->constraintB();
164    }
165  
168 –
166    RealType LangevinHullDynamics::calcConservedQuantity() {
167      return 0.0;
168    }

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