Skip to content

Comments

Update ParameterGradientKeys for vsite key matching#732

Open
lilyminium wants to merge 4 commits intomainfrom
identify-vsite-parameters
Open

Update ParameterGradientKeys for vsite key matching#732
lilyminium wants to merge 4 commits intomainfrom
identify-vsite-parameters

Conversation

@lilyminium
Copy link
Contributor

Description

note -- this may not be the best way to do it, i'm not sure if we can integrate canonical Interchange PotentialKeys instead?

@codecov
Copy link

codecov bot commented Feb 12, 2026

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 89.21%. Comparing base (65fc593) to head (52fc6d1).
⚠️ Report is 1 commits behind head on main.

🚀 New features to boost your workflow:
  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

@lilyminium lilyminium marked this pull request as ready for review February 12, 2026 21:12
@mattwthompson mattwthompson added this to the 0.5.3 milestone Feb 24, 2026
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

Successfully merging this pull request may close these issues.

Can't re-fit virtual sites due to inability to identify them uniquely

2 participants