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OpenChemistry / avogadrolibs

Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
https://two.avogadro.cc/
BSD 3-Clause "New" or "Revised" License
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Animation Jitter Freq. Modes #1445

Closed samuelpsmith closed 10 months ago

samuelpsmith commented 11 months ago

Avogadro version: (please complete the following information from the About box):

Desktop version: (please complete the following information):

Describe the bug All vibrational modes end in weird jitter. See video.

To Reproduce open up Tyr-Phe dipeptide optimized at b3lyp/6-311g in Gaussian16. Examine a vibrational mode and play animation. Observe expected movement and werid jitter.

Screencast from 11-06-2023 05:33:10 PM.webm

Expected behavior Expect smooth loop?

Screenshots See above

Additional context Add any other context about the problem here. Please consider uploading or linking test files. Tyr-Phe_B3LYP6-311g.log

avo-bot commented 10 months ago

This issue has been mentioned on Avogadro Discussion. There might be relevant details there:

https://discuss.avogadro.cc/t/full-and-privileged-xtb-integration/4953/44

github-actions[bot] commented 10 months ago

Here are the build results Avogadro2.AppImage macOS.dmg Win64.exe Artifacts will only be retained for 90 days.

github-actions[bot] commented 10 months ago

Here are the build results Avogadro2.AppImage Win64.exe Artifacts will only be retained for 90 days.