Skip to content

Fix RelaxConstVolSetGenerator #1247

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

Merged
merged 2 commits into from
Jul 26, 2025
Merged

Fix RelaxConstVolSetGenerator #1247

merged 2 commits into from
Jul 26, 2025

Conversation

gpetretto
Copy link
Contributor

Summary

RelaxConstVolSetGenerator was not setting the INCAR values correctly.
Fixing this and adding tests for all the input sets in core to avoid this kind of issues.

@JaGeo
Copy link
Member

JaGeo commented Jul 26, 2025

@gpetretto thank you. After looking at this though, I am wondering if this is really a "constant volume" Maker or rather a "constant lattice" Maker as it uses ISIF=2. I might open a new issue

@JaGeo JaGeo merged commit 35da450 into materialsproject:main Jul 26, 2025
18 of 21 checks passed
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.

2 participants