Skip to content

Charm2024 implementation#163

Merged
talagayev merged 9 commits intowolberlab:mainfrom
talagayev:Charm2024_implementation
Nov 3, 2025
Merged

Charm2024 implementation#163
talagayev merged 9 commits intowolberlab:mainfrom
talagayev:Charm2024_implementation

Conversation

@talagayev
Copy link
Copy Markdown
Member

@talagayev talagayev commented Nov 3, 2025

Fixes #158

Changes made:

  • Adds the new CHARMM_2024 forcefield
  • Adds pytests

PR Checklist

  • Issue raised/referenced?
  • Tests updated/added?
  • Documentation updated/added?
  • CHANGELOG file updated?
  • Is your name in AUTHORS?

@talagayev talagayev merged commit 85c3d10 into wolberlab:main Nov 3, 2025
2 checks passed
@talagayev talagayev deleted the Charm2024_implementation branch November 3, 2025 01:59
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.

Addition of CHARMM36 2024 forcefield

1 participant