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Calculate & depict dipole moment vector #1740

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ghutchis opened this issue Oct 16, 2024 · 0 comments
Open
6 tasks

Calculate & depict dipole moment vector #1740

ghutchis opened this issue Oct 16, 2024 · 0 comments

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@ghutchis
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ghutchis commented Oct 16, 2024

Version 1.0 / 1.2 had a dipole moment vector render option. For teaching purposes it would be great to bring it back:

  • Calculate dipole moment (different models)
  • Input custom vector
  • Render it as an arrow
  • Store the calculated dipole moment as a property for the molecular properties dialog
  • Read / Write dipole moments to CJSON
  • Add support for read / write in other formats, e.g. Open Babel
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