Closed NilsHeunemann closed 8 months ago
Hi @NilsHeunemann – this is awesome, thanks. Would you mind:
Then I'm very happy to approve and merge this 🚀
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Hi, thank you for the quick reply! I just updated the changelog and added myself to the contributors list.
Previously the
reaction.delta
method would return the potential energy of the transition state when supplying"G ddagger"
or"G double dagger"
. This behavior was unexpected.After the change synonyms "ddagger" and "double dagger" can also be used with free energy.
Checklist