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

Limiting, comparing LJ/Mie/Exp6, electrostatic, bond, angle, dihedral, and improper expressions? #582

Open
bc118 opened this issue Aug 12, 2021 · 0 comments

Comments

@bc118
Copy link
Contributor

bc118 commented Aug 12, 2021

I may have missed this if it already exists.

Do we need to limit the equations/variable name or do we have a good method of comparing the LJ/Mie/Exp6, electrostatic, bond, angle, dihedral, and improper expressions between different FF/xml files?

For example:

  • limit the variable name to ep and/or epsilon only and not accept eplis ... as a variable name?
  • Do we want to build functions for comparing in gmso, as many writers may use them, or do we want every engine to do their own way?
  • Other fancy/better ways to do this?
@bc118 bc118 changed the title Limiting, comparing LJ/Mie/Exp6, electrostatic, bond, angle, dihedral, and improper expressions Limiting, comparing LJ/Mie/Exp6, electrostatic, bond, angle, dihedral, and improper expressions? Aug 12, 2021
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

No branches or pull requests

1 participant