How to make the optimize geometry
work in 1.100 on win 11 (1000.26100.36.0).
It currently doesn’t work on my computer.
First step - If you use the Open Babel → Optimize, does that work?
Secondly, if you go to the next command down (Extensions → Calculate → Configure…) what does that dialog indicate?
Finally, in Documents directory, there should be an “avogadro2.log” file. Could you upload that? It includes debugging / warning messages during operation.
Well, the Optimize
button is unable to click for the first step.
With log file:
avogadro2.log (5.0 KB)
Thanks. There seems to be some issue with the Open Babel code in 1.100 on Windows.
Out of curiosity, if you try a nightly build from Install — Avogadro 1.100.0 documentation does that work? (The nightly builds are not code-signed … so I’m wondering if it’s a signing issue.)