Skip to content

Conversation

@lohedges
Copy link
Contributor

This PR adds a new kwarg to the merge function to allow the user to choose whether to zero the LJ sigma value for dummy atoms.

  • I confirm that I have merged the latest version of devel into this branch before issuing this pull request (e.g. by running git pull origin devel): [y]
  • I confirm that I have permission to release this code under the GPL3 license: [y]

@lohedges lohedges added the cresset Related to work with Cresset label Nov 28, 2025
@lohedges lohedges temporarily deployed to biosimspace-build November 28, 2025 11:27 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build November 28, 2025 11:27 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build November 28, 2025 11:27 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build November 28, 2025 11:27 — with GitHub Actions Inactive
@lohedges lohedges merged commit 3364c2c into devel Nov 28, 2025
4 of 5 checks passed
@lohedges lohedges deleted the fix_ghost_sigmas branch November 28, 2025 11:59
lohedges added a commit that referenced this pull request Nov 28, 2025
lohedges added a commit that referenced this pull request Nov 28, 2025
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

cresset Related to work with Cresset

Projects

None yet

Development

Successfully merging this pull request may close these issues.

2 participants