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root/OpenMD/branches/development/src/primitives/GhostBend.cpp
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Comparing trunk/src/primitives/GhostBend.cpp (file contents):
Revision 1211 by gezelter, Wed Jan 23 16:38:22 2008 UTC vs.
Revision 1309 by gezelter, Tue Oct 21 18:23:31 2008 UTC

# Line 73 | Line 73 | namespace oopse {
73      
74      RealType firstDerivative;
75      
76 <    bendType_->calcForce(theta, firstDerivative, potential_);
76 >    bendType_->calcForce(theta, potential_, firstDerivative);
77      
78      RealType sinTheta = sqrt(1.0 - cosTheta * cosTheta);
79      
# Line 89 | Line 89 | namespace oopse {
89      atom1_->addFrc(force1);
90      ghostAtom->addFrc(-force1);
91      /**@todo test correctness */
92 <    ghostAtom->addTrq(cross(r32, force3) );
93 <    
92 >    ghostAtom->addTrq(cross(r32, force3) );    
93 >
94 >    atom1_->addParticlePot(potential_);
95 >    ghostAtom->addParticlePot(potential_);
96 >
97      angle = theta /M_PI * 180.0;
98      
99    }  

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