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root/group/branches/no-template-branch/OOPSE/libmdtools/SimInfo.hpp
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Comparing trunk/OOPSE/libmdtools/SimInfo.hpp (file contents):
Revision 708 by tim, Wed Aug 20 22:23:34 2003 UTC vs.
Revision 763 by tim, Mon Sep 15 16:52:02 2003 UTC

# Line 39 | Line 39 | class SimInfo{ (public)
39    unsigned int nZconstraints; // the number of zConstraints
40  
41    unsigned int setTemp;   // boolean to set the temperature at each sampleTime
42 +  unsigned int resetIntegrator; // boolean to reset the integrator
43  
44    unsigned int n_dipoles; // number of dipoles
45  
# Line 90 | Line 91 | class SimInfo{ (public)
91    double target_temp;            // the target temperature of the system
92    double thermalTime;            // the temp kick interval
93    double currentTime;            // Used primarily for correlation Functions
94 +  double resetTime;              // Use to reset the integrator periodically
95  
96    int n_mol;           // n_molecules;
97    Molecule* molecules; // the array of molecules
# Line 156 | Line 158 | class SimInfo{ (public)
158    void printMat3(double A[3][3]);
159    void printMat9(double A[9]);
160    double matDet3(double m[3][3]);
161 +  double matTrace3(double m[3][3]);
162  
163    SimState* getConfiguration( void ) { return myConfiguration; }
164    

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