Skip to content

Fix virial calculations in optimizers and integrators#163

Merged
janosh merged 3 commits intomainfrom
fix-virials
Apr 17, 2025
Merged

Fix virial calculations in optimizers and integrators#163
janosh merged 3 commits intomainfrom
fix-virials

Conversation

@janosh
Copy link
Copy Markdown
Collaborator

@janosh janosh commented Apr 17, 2025

closes #162

@janosh janosh added fix Bug fix md Molecular dynamics geo-opt Geometry optimization labels Apr 17, 2025
@cla-bot cla-bot Bot added the cla-signed label Apr 17, 2025
@janosh janosh removed the cla-signed label Apr 17, 2025
@janosh janosh merged commit 7da5ff4 into main Apr 17, 2025
91 checks passed
@janosh janosh deleted the fix-virials branch April 17, 2025 23:21
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

fix Bug fix geo-opt Geometry optimization md Molecular dynamics

Projects

None yet

Development

Successfully merging this pull request may close these issues.

Incorrect virials?

1 participant