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root/OpenMD/trunk/src/integrators/DLM.cpp
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Comparing trunk/src/integrators/DLM.cpp (file contents):
Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC vs.
Revision 1880 by gezelter, Mon Jun 17 18:28:30 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).          
39 < * [4]  Vardeman & Gezelter, in progress (2009).                        
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   */
42  
43   #include "DLM.hpp"
# Line 77 | Line 78 | namespace OpenMD {
78  
79        // rotate about the z-axis
80        angle = dt * ji[2] / I(2, 2);
80 –      sd->addZangle(angle);
81        rotateStep( 0, 1, angle, ji, A);
82  
83        // rotate about the y-axis

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