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root/OpenMD/trunk/src/restraints/RestraintForceManager.hpp

Comparing trunk/src/restraints/RestraintForceManager.hpp (file contents):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 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).
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		#ifndef RESTRAINTS_RESTRAINTFORCEMANAGER_HPP
#	Line 55 | Line 56 | namespace OpenMD {
56		~RestraintForceManager();
57
58		virtual void init();
59	<	virtual void calcForces(bool needPotential, bool needStress);
59	>	virtual void calcForces();
60
61		RealType doRestraints(RealType scalingFactor);
62		RealType getUnscaledPotential() { return unscaledPotential_; }
#	Line 73 | Line 74 | namespace OpenMD {
74		RealType restTime_;
75		RestWriter* restOut;
76		Snapshot* currSnapshot_;
76	–
77		};
78
79		}

Comparing trunk/src/restraints/RestraintForceManager.hpp (property svn:keywords):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

#	Line 0 | Line 1
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