eldr

I recently found a rather severe bug that might be bugging (pun intended) other people as well, so I decided to share it. It is a naming bug in at least the software version 7.1, that causes reactions to start from the product or wonky concentrations, even when defined correctly. The thing causing the bug was found via editing the input xml until the bug was replicated. Turns out the bug is caused by naming style. The tested and working names for the simple reaction were MeO2Me_triplet, MeOOMe_singlet,...