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

Remove rigid body ID assignment from Compound #1200

Closed
chrisjonesBSU opened this issue Oct 3, 2024 · 0 comments · Fixed by #1203
Closed

Remove rigid body ID assignment from Compound #1200

chrisjonesBSU opened this issue Oct 3, 2024 · 0 comments · Fixed by #1203

Comments

@chrisjonesBSU
Copy link
Contributor

As the simulation engine writers are migrating from mBuild to GMSO, questions came up about how to handle particle-level rigid IDs when adding HOOMD rigidy body support to GMSO.

@CalCraven and I believe rigid body assignment and writing is best handled in GMSO rather than in mBuild (and then converted when going from mbuild --> GMSO).

So, we should remove the rigid_id data structures from the Compound class in mBuild as it won't be used anywhere once #1191 is merged.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
None yet
Development

Successfully merging a pull request may close this issue.

1 participant