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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 746 by mmeineke, Thu Sep 4 21:48:35 2003 UTC vs.
Revision 767 by tim, Tue Sep 16 20:02:11 2003 UTC

# Line 36 | Line 36 | class SimInfo{ (public)
36    unsigned int n_oriented; // number of of atoms with orientation
37    unsigned int ndf;        // number of actual degrees of freedom
38    unsigned int ndfRaw;     // number of settable degrees of freedom
39 +  unsigned int ndfTrans;   // number of translational degrees of freedom
40    unsigned int nZconstraints; // the number of zConstraints
41  
42    unsigned int setTemp;   // boolean to set the temperature at each sampleTime
# Line 129 | Line 130 | class SimInfo{ (public)
130  
131    int getNDF();
132    int getNDFraw();
133 +  int getNDFtranslational();
134  
135    void setBox( double newBox[3] );
136    void setBoxM( double newBox[3][3] );
# Line 158 | Line 160 | class SimInfo{ (public)
160    void printMat3(double A[3][3]);
161    void printMat9(double A[9]);
162    double matDet3(double m[3][3]);
163 +  double matTrace3(double m[3][3]);
164  
165    SimState* getConfiguration( void ) { return myConfiguration; }
166    

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