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root/group/trunk/OOPSE/libmdtools/ExtendedSystem.hpp
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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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