Product info scrambled on PES level

zadorlab / KinBot

Automated reaction pathway search for gas-phase molecules

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Product info scrambled on PES level #17

Closed juditzador closed 4 years ago

juditzador commented 4 years ago

When a product is changing, something gets scrambled and the information doesn't get to the PES level, even though it is okay in the KinBot run. Causes to output A + A instead of A + B products.

adewyer commented 4 years ago

Was this issue solved by the changes you most recently made?

adewyer commented 4 years ago

According to pull request this issue is closed