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root/group/trunk/SHAPES/GridBuilder.hpp
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Comparing trunk/SHAPES/GridBuilder.hpp (file contents):
Revision 1282 by chrisfen, Mon Jun 21 15:10:29 2004 UTC vs.
Revision 1283 by gezelter, Mon Jun 21 15:54:27 2004 UTC

# Line 14 | Line 14 | class GridBuilder{ (public)
14    GridBuilder(RigidBody* rb, int bandWidth);
15    virtual ~GridBuilder();
16  
17 <  void launchProbe(int forceField, vector<double> sigmaGrid, vector<double> sGrid,
18 <                                         vector<double> epsGrid);
17 >  void launchProbe(int forceField, vector<double> sigmaGrid,
18 >                   vector<double> sGrid,
19 >                   vector<double> epsGrid);
20    void releaseProbe(double farPos);
21    void calcEnergy();
21 –  void rotBody(double pValue, double tValue);
22    void printGridFiles();
23  
24   protected:
# Line 28 | Line 28 | class GridBuilder{ (public)
28    double thetaStep;
29    double phiStep;
30    double thetaMin;
31 –  double rotX[3][3];
32 –  double rotZ[3][3];
33 –  double rbMatrix[3][3];
34 –  double rotatedMat[3][3];
35 –  double angles[3];
31    double probeCoor; //the probe atom motion is 1-dimensional
32    double rhoStep;
33    double sigDist;

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