I believe this to be a bug with Avogadro
Avogadro version: 1.98.1 Nightly Build Downloaded on 11/12/23
Operating system and version: Windows 11 Pro Version 22H2
Geometry optimization tool produces an optimized geometry.
Geometry optimization tool produces spaghetti.
Draw any molecule (I especially enjoy acetylene or acetylacetone), in Extensions>Calculate, click optimize.
It’s not “spaghetti” - you’re applying a simple Lennard-Jones model. That’s the result.
I’d suggest installing miniconda and conda install -c conda-forge openbabel for example.
More methods are in progress, but if you want to optimize using the Open Babel force fields, either install that or use the Extensions ⇒ Open Babel ⇒Optimize Geometry.
That’s why the Open Babel options still exist. The merged version doesn’t exist yet.
Excellent, worked a treat!
side note- realized i never hit send on this even though i typed it a few days ago, my bad!
