| # | Line 50 | Line 50 | namespace oopse { | |
|---|---|---|
| 50 | return Mat3x3d::identity(); | |
| 51 | } | |
| 52 | ||
| 53 | < | std::vector<double> Atom::getGrad() { |
| 54 | < | std::vector<double> grad(3); |
| 53 | > | std::vector<RealType> Atom::getGrad() { |
| 54 | > | std::vector<RealType> grad(3); |
| 55 | Vector3d force= getFrc(); | |
| 56 | ||
| 57 | grad[0] = -force[0]; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |