Skip to content

Add Umbrella Sampling example notebook#51

Merged
hejung merged 5 commits into
bio-phys:mainfrom
hejung:US_example
Apr 9, 2026
Merged

Add Umbrella Sampling example notebook#51
hejung merged 5 commits into
bio-phys:mainfrom
hejung:US_example

Conversation

@hejung

@hejung hejung commented Apr 8, 2026

Copy link
Copy Markdown
Collaborator

Example application in which we progressively populate the windows of an Umbrella Sampling simulation along a 1D collective variable. In this example we use capped alanine dipeptide and bias along the ψ dihedral.

@codecov

codecov Bot commented Apr 8, 2026

Copy link
Copy Markdown

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 79.08%. Comparing base (ea60cd7) to head (523d2a4).
⚠️ Report is 6 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff           @@
##             main      #51   +/-   ##
=======================================
  Coverage   79.08%   79.08%           
=======================================
  Files          23       23           
  Lines        2462     2462           
  Branches      318      318           
=======================================
  Hits         1947     1947           
  Misses        421      421           
  Partials       94       94           

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

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

@hejung hejung merged commit 090ccc4 into bio-phys:main Apr 9, 2026
8 checks passed
@hejung hejung deleted the US_example branch April 9, 2026 12:09
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.

1 participant