We made several improvements * more stable filtering of identical bimolecular products * possibility of skipping wells in the search * possibility of skipping reaction families * improved reaction search for cycles * reaction families are using functions (in progress still) for geometry modifications * small bug fixes and improvements
2.0.2
We have improved the code and eliminated several bugs: - hindered rotor failures are handled without crash - `mess` files contain all channels - in a `pes` calculations maintain central repos for wells, saving some cpu time - new reaction family added: `beta_delta` - several small bug fixes