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New: Complete vibrational analysis for non-linear polyatomics #563

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wants to merge 2 commits into from
Closed

New: Complete vibrational analysis for non-linear polyatomics #563

wants to merge 2 commits into from

Commits on Aug 30, 2024

  1. WIP: External normal modes for vibrational analysis 

    These will be used to project out translations and rotations.
    @avcopan
    avcopan committed Aug 30, 2024
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  2. New: Complete vibrational analysis for non-linear polyatomics 

    Next I need to make sure it handles diatomics as well...
    @avcopan
    avcopan committed Aug 30, 2024
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