| # | Line 44 | Line 44 | namespace oopse { | |
|---|---|---|
| 44 | namespace oopse { | |
| 45 | ||
| 46 | /**@todo still a lot left to improve*/ | |
| 47 | < | void GhostBend::calcForce() { |
| 47 | > | void GhostBend::calcForce(double& angle) { |
| 48 | DirectionalAtom* ghostAtom = static_cast<DirectionalAtom*>(atom2_); | |
| 49 | ||
| 50 | Vector3d pos1 = atom1_->getPos(); | |
| # | Line 91 | Line 91 | namespace oopse { | |
| 91 | /**@todo test correctness */ | |
| 92 | ghostAtom->addTrq(cross(r32, force3) ); | |
| 93 | ||
| 94 | + | angle = theta /M_PI * 180.0; |
| 95 | + | |
| 96 | } | |
| 97 | ||
| 98 | } //end namespace oopse | |
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