We continue our quest to fix bugs and improve the stability of the code.
- We can detect the change in point chirality during a conformer search, and such structures are ignored, i.e., the chilarility is conserved on the PES. Note that we do not yet have the ability to search for both handed cases, the one that is found is random.
- We fixed the number of conformer searches, so the limit prescribed by the user is actually respected, even for cyclic compounds.
- Created better estimates for the number of conformers for cycles.
- Some exceptions for multiplicity were fixed.
- Added an H2 elimination family
- Homolytic scissions are at feature parity with other families for the most part