--- trunk/src/primitives/Bend.cpp 2013/06/16 15:15:42 1879 +++ trunk/src/primitives/Bend.cpp 2013/12/05 18:19:26 1953 @@ -48,9 +48,9 @@ namespace OpenMD { /**@todo still a lot left to improve*/ void Bend::calcForce(RealType& angle, bool doParticlePot) { - Vector3d pos1 = atom1_->getPos(); - Vector3d pos2 = atom2_->getPos(); - Vector3d pos3 = atom3_->getPos(); + Vector3d pos1 = atoms_[0]->getPos(); + Vector3d pos2 = atoms_[1]->getPos(); + Vector3d pos3 = atoms_[2]->getPos(); Vector3d r21 = pos1 - pos2; RealType d21 = r21.length(); @@ -93,14 +93,14 @@ namespace OpenMD { Vector3d force2 = force1 + force3; force2 *= -1.0; - atom1_->addFrc(force1); - atom2_->addFrc(force2); - atom3_->addFrc(force3); + atoms_[0]->addFrc(force1); + atoms_[1]->addFrc(force2); + atoms_[2]->addFrc(force3); if (doParticlePot) { - atom1_->addParticlePot(potential_); - atom2_->addParticlePot(potential_); - atom3_->addParticlePot(potential_); + atoms_[0]->addParticlePot(potential_); + atoms_[1]->addParticlePot(potential_); + atoms_[2]->addParticlePot(potential_); } angle = theta /M_PI * 180.0;