Skip to content

ccECP#3940

Merged
juerghutter merged 4 commits intocp2k:masterfrom
juerghutter:ED
Feb 5, 2025
Merged

ccECP#3940
juerghutter merged 4 commits intocp2k:masterfrom
juerghutter:ED

Conversation

@juerghutter
Copy link
Contributor

CP2K integral routine for local part of ECPs. Replaces and extends local (Type 1) integrals from libgrrp.
Makes pseudopoentials used in Quantum Monte Carlo accessible to CP2K,
see pseudopotentials.org

@juerghutter juerghutter merged commit 71d5d6c into cp2k:master Feb 5, 2025
37 checks passed
@annulen
Copy link

annulen commented Jul 23, 2025

For those coming here from release notes of CP2K v2025.2:

Correct link (right now, maybe it has moved since February) is https://pseudopotentiallibrary.org, not pseudopotentials.org

BelizSertcan pushed a commit to BelizSertcan/cp2k that referenced this pull request Feb 5, 2026
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