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

Fix issue #192 #193

Merged
merged 2 commits into from
Oct 31, 2023
Merged

Fix issue #192 #193

merged 2 commits into from
Oct 31, 2023

Conversation

lohedges
Copy link
Contributor

This PR closes #192 by making sure to check for velocities in perturbable molecules when combining molecules.

  • 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]

Suggested reviewers:

@chryswoods

@lohedges lohedges added bug Something isn't working exscientia Related to work with Exscientia labels Oct 30, 2023
@lohedges lohedges temporarily deployed to biosimspace-build October 30, 2023 14:21 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build October 30, 2023 14:21 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build October 30, 2023 14:21 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build October 30, 2023 14:21 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build October 30, 2023 14:21 — with GitHub Actions Inactive
Copy link
Contributor

@chryswoods chryswoods left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Looks good - a clean fix.

@lohedges lohedges merged commit 4b0ba24 into devel Oct 31, 2023
5 checks passed
@lohedges lohedges deleted the fix_192 branch October 31, 2023 08:50
lohedges added a commit that referenced this pull request Oct 31, 2023
lohedges added a commit that referenced this pull request Oct 31, 2023
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
bug Something isn't working exscientia Related to work with Exscientia
Projects
None yet
Development

Successfully merging this pull request may close these issues.

[BUG] Velocity property for perturbable molecules not checked when making sure all molecules have velocities
2 participants