--- trunk/src/primitives/GhostBend.cpp 2005/04/15 22:04:00 507 +++ trunk/src/primitives/GhostBend.cpp 2005/11/16 23:10:02 749 @@ -44,7 +44,7 @@ namespace oopse { namespace oopse { /**@todo still a lot left to improve*/ - void GhostBend::calcForce() { + void GhostBend::calcForce(double& angle) { DirectionalAtom* ghostAtom = static_cast(atom2_); Vector3d pos1 = atom1_->getPos(); @@ -91,6 +91,8 @@ namespace oopse { /**@todo test correctness */ ghostAtom->addTrq(cross(r32, force3) ); + angle = theta /M_PI * 180.0; + } } //end namespace oopse