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root/group/trunk/OOPSE/libmdtools/SimInfo.hpp
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Comparing trunk/OOPSE/libmdtools/SimInfo.hpp (file contents):
Revision 1180 by chrisfen, Thu May 20 20:24:07 2004 UTC vs.
Revision 1212 by chrisfen, Tue Jun 1 17:15:43 2004 UTC

# Line 129 | Line 129 | class SimInfo{ (public)
129  
130    int seed;                    //seed for random number generator
131  
132 <  bool useThermInt;
133 <  double thermIntLambda;
134 <  double thermIntK;
132 >  int useSolidThermInt;  // is solid-state thermodynamic integration being used
133 >  int useLiquidThermInt; // is liquid thermodynamic integration being used
134 >  double thermIntLambda; // lambda for TI
135 >  double thermIntK;      // power of lambda for TI
136 >  double vRaw;           // unperturbed potential for TI
137 >  double vHarm;          // harmonic potential for TI
138 >  int i;                 // just an int
139  
136 –  double vRaw;
137 –  double vHarm;
138 –
139 –
140    vector<double> mfact;
141    int ngroup;
142    vector<int> groupList;

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