Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Calculate & depict dipole moment vector #1740

Closed
5 of 6 tasks
ghutchis opened this issue Oct 16, 2024 · 0 comments · Fixed by #1801
Closed
5 of 6 tasks

Calculate & depict dipole moment vector #1740

ghutchis opened this issue Oct 16, 2024 · 0 comments · Fixed by #1801

Comments

@ghutchis
Copy link
Member

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
@ghutchis ghutchis linked a pull request Nov 19, 2024 that will close this issue
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging a pull request may close this issue.

1 participant