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root/OpenMD/branches/development/src/primitives/UreyBradleyBend.cpp
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Comparing branches/development/src/primitives/UreyBradleyBend.cpp (file contents):
Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC vs.
Revision 1712 by gezelter, Sat May 19 13:30:21 2012 UTC

# Line 52 | Line 52 | namespace OpenMD {
52      delete bond_;
53    }
54  
55 <  void UreyBradleyBend::calcForce(RealType& angle) {
56 <    Bend::calcForce(angle);
57 <    bond_->calcForce();
58 <    atom2_->addParticlePot(bond_->getPotential());
55 >  void UreyBradleyBend::calcForce(RealType& angle, bool doParticlePot) {
56 >    Bend::calcForce(angle, doParticlePot);
57 >    bond_->calcForce(doParticlePot);
58 >    if (doParticlePot) {
59 >      atom2_->addParticlePot(bond_->getPotential());
60 >    }
61    }
62  
63   } //end namespace OpenMD

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