- `LogFermiWallPotential` is renamed to `LogFermiSphericalWallPotential` - Added base class for bias potential: `ase_extensionn.constraints.BiasPotential` - Internal API changed (See commits)
0.2.0
Features added
- `ase_extension.neighborlist.neighbor_list`: A drop-in replacement of `ase.neighborlist.neighbor_list`, but much faster and supports multithreading by `rayon`
0.1.1
Features added
- `ase_extension.geometry.RMSD`: Compute minimum rmsd (and its gradient) between two `Atoms`