I wonder if somebody can help me figure out a behavior I see in Avogadro related to output files from ORCA 4.2.1. I am using an Ryzen AMD processor and Windows 10, 64 bit. Avogadro 1.2.0n-win32.
When I load an *.OUT file including vibration information (Raman, IR) from ORCA into Avogadro. The molecule loads fine, and the “Vibrations” toolbar opens well showing the list of vibrations. Unfortunately, if I click the button “Start Animation”, I get the message: “No vibrational displacements exist”. If I click “Start Animation” anyway, Avogadro stops responding and has to be shutdown from the Task Manager.
I can see the animation of the vibrations if I use ORCA_PLTVIB.exe command and export each vibration into an XYZ file separately, AND THEN open that file with Avogadro. This of course is a bit of a shore for molecules with upwards of 50 vibration modes.
Is there a way to put a random vibration displacement for all frequencies? I see the option “Normalize displacements”, but it doesn’t do anything in this case.
I believe this to be a bug with Avogadro
Avogadro version: 1.2.0n win32
Operating system and version: Win 10 Pro 64 bit
Expected Behavior: molecule showing each vibration
Actual Behavior: message saying “no vibration displacement exist”
Steps to Reproduce: click on vibration frequency on the “Vibrations toolbar”
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