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root/OpenMD/trunk/src/restraints/ObjectRestraint.cpp
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Comparing trunk/src/restraints/ObjectRestraint.cpp (file contents):
Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

# Line 36 | Line 36
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).                        
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 "restraints/ObjectRestraint.hpp"
# Line 70 | Line 71 | namespace OpenMD {
71  
72        Quat4d quat = temp.toQuaternion();
73  
74 <      RealType twistAngle, swingAngle;
74 >      RealType twistAngle;
75        Vector3d swingAxis;
76        RealType swingX, swingY;
77        
78        quat.toSwingTwist(swingX, swingY, twistAngle);
79  
79 –
80        RealType dVdtwist, dVdswingX, dVdswingY;
81        RealType dTwist, dSwingX, dSwingY;
82        RealType p;

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