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root/OpenMD/trunk/src/integrators/NPT.hpp

Comparing trunk/src/integrators/NPT.hpp (file contents):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 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		/**
#	Line 121 | Line 122 | namespace OpenMD {
122		VelocityVerletIntegrator::integrateStep();
123		}
124
125	<	virtual void doUpdate();
125	>	virtual void doUpdateSizes();
126
127		virtual void resetIntegrator();
128
#	Line 152 | Line 153 | namespace OpenMD {
153
154		RealType etaTolerance;
155
156	<	RealType chi;
156	<	RealType integralOfChidt;
156	>	pair<RealType, RealType> thermostat;
157		Mat3x3d press;
158
159		private:

Comparing trunk/src/integrators/NPT.hpp (property svn:keywords):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

#	Line 0 | Line 1
1	+	Author Id Revision Date

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