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Re: Row wise chemical reaction [message #1648 is a reply to message #1636] Sat, 25 June 2022 15:48 Go to previous messageGo to previous message
thomas is currently offline  thomas
Messages: 655
Registered: June 2014
Senior Member
Hi Patrick,

yes, you are right. The reactants got switched, because they were encoded in lexical order by mistake, when they were stored as part of the task configuration. I have corrected this issue now in the current dev version.

Thank you for pointing me to the problem so clearly.

Thomas
 
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