Skip to content

Update documentation for mass-weighted force (relating to IRL2/nanover-server-py#550)#197

Draft
hjstroud wants to merge 2 commits intomainfrom
fix/mass-weighted-force
Draft

Update documentation for mass-weighted force (relating to IRL2/nanover-server-py#550)#197
hjstroud wants to merge 2 commits intomainfrom
fix/mass-weighted-force

Conversation

@hjstroud
Copy link
Copy Markdown
Collaborator

@hjstroud hjstroud commented Mar 17, 2026

This PR updates the documentation for the mass-weighted force associated with the changes made in PR IRL2/nanover-server-py#550, as part of addressing issue IRL2/nanover-server-py#549. The main changes are:

  • Updated definition of the mass-weighted force assigned to each atom
  • Updated definition of the energy associated with the mass-weighted and non-mass-weighted forces

Tasks that must be completed before this can be merged:

Merging this PR will close IRL2/nanover-server-py#549

…enerally applied to the COM of a group of atoms, and the associated energy
@hjstroud hjstroud self-assigned this Mar 17, 2026
@hjstroud hjstroud added the documentation Improvements or additions to documentation label Mar 17, 2026
@hjstroud hjstroud marked this pull request as draft March 17, 2026 09:22
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

documentation Improvements or additions to documentation

Projects

None yet

Development

Successfully merging this pull request may close these issues.

Incorrect mass-weighting for centre-of-mass (COM) force

1 participant