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root/group/trunk/OOPSE/libmdtools/Shake.hpp
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Comparing trunk/OOPSE/libmdtools/Shake.hpp (file contents):
Revision 1232 by tim, Thu Jun 3 21:51:55 2004 UTC vs.
Revision 1254 by tim, Wed Jun 9 16:16:33 2004 UTC

# Line 10 | Line 10 | class DCShakeFunctor : public CallbackFunctor{
10      virtual int operator()(ConstraintAtom* consAtom1, ConstraintAtom* consAtom2);
11      virtual int operator()(ConstraintAtom* consAtom,ConstraintRigidBody* consRB);
12      virtual int operator()(ConstraintRigidBody* consRB1, ConstraintRigidBody* consRB2);
13 +  private:
14 +    double getEffInvMass(ConstraintRigidBody* consRB, double bondDir[3]);
15 +    void integrate(ConstraintRigidBody* consRB, double force[3]);
16   };
17  
18   class JCShakeFunctor : public CallbackFunctor{
# Line 50 | Line 53 | class ShakeFrameWork : public ConsAlgoFramework{
53        delete shakeAlgo;
54      }
55      
56 <    void doShake(){
57 <      shakeAlgo->doConstrain();
56 >    int doShake(){
57 >       shakeAlgo->doConstrain();
58 >       return shakeAlgo->haveError()? -1 : 1;
59      }
60      
61    private:

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