Skip to content

Improve SCF for meta-GGA methods#1321

Merged
mfherbst merged 21 commits into
masterfrom
mgga-solver
Jun 12, 2026
Merged

Improve SCF for meta-GGA methods#1321
mfherbst merged 21 commits into
masterfrom
mgga-solver

Conversation

@mfherbst

Copy link
Copy Markdown
Member
  • Better initial guess
  • Use both ρ and τ during mixing and Anderson

I kept changes minimal in anticipation of a broader discussion surrounding the state refactor.

@mfherbst mfherbst enabled auto-merge (squash) June 12, 2026 09:13
@mfherbst mfherbst disabled auto-merge June 12, 2026 09:36
@mfherbst mfherbst enabled auto-merge (squash) June 12, 2026 09:45
@mfherbst mfherbst merged commit c094df6 into master Jun 12, 2026
9 of 10 checks passed
@mfherbst mfherbst deleted the mgga-solver branch June 12, 2026 10:32
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