[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/ExtendedSystem.hpp

Comparing trunk/OOPSE/libmdtools/ExtendedSystem.hpp (file contents):
Revision 481 by gezelter, Tue Apr 8 21:35:49 2003 UTC vs.
Revision 488 by gezelter, Thu Apr 10 16:35:31 2003 UTC

#	Line 20 \| Line 20 \| class ExtendedSystem{ (public)
20		void setTargetPressure(double tp) {targetPressure=tp;have_target_pressure=1;}
21
22		void NoseHooverNVT(double dt, double ke);
23	<	void NoseHooverAndersonNPT(double dt, double ke, double p_mol);
23	>	void NoseHooverAndersonNPT(double dt, double ke, double p_tensor[9]);
24	>	void ConstantStress(double dt, double ke, double p_tensor[9]);
25		void AffineTransform(double oldBox[3], double newBox[3]);
26
27		protected:
#	Line 42 \| Line 43 \| class ExtendedSystem{ (public)
43		// zeta and epsilonDot are propagated
44		double zeta;
45		double epsilonDot;
46	+	double epsilonDotX;
47	+	double epsilonDotY;
48	+	double epsilonDotZ;
49
50		// qmass, tauRelax, targetTemp, and targetPressure are parameters that
51		// must be set

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