Skip to content

Don't extend comm_cutoff for no_domain_decomposition#60

Merged
wcwitt merged 2 commits intomainfrom
develop
Dec 16, 2025
Merged

Don't extend comm_cutoff for no_domain_decomposition#60
wcwitt merged 2 commits intomainfrom
develop

Conversation

@wcwitt
Copy link
Copy Markdown
Owner

@wcwitt wcwitt commented Dec 16, 2025

@Fraser-Birks, this came up in a conversation with @bernstei. Would you mind double-checking this change before I merge? I recall it was subtle.

@Fraser-Birks
Copy link
Copy Markdown
Contributor

I think this should be totally fine to do so long as compute_no_domain_decomposition doesn't at any point need ghost atoms more than 1 cutoff out - presumably it doesn't!

For ML-MIX I'll always just use no_mpi mode, so no worries there.

@wcwitt wcwitt merged commit 85ff708 into main Dec 16, 2025
4 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