From 0840c056a66bab37568ade6be0803cd6411ecbbd Mon Sep 17 00:00:00 2001 From: Augustin Bussy Date: Tue, 22 Jul 2025 11:10:38 +0200 Subject: [PATCH 1/2] Add clear reminder to check known issues with CP2K --- docs/software/sciapps/cp2k.md | 3 +++ 1 file changed, 3 insertions(+) diff --git a/docs/software/sciapps/cp2k.md b/docs/software/sciapps/cp2k.md index b77aa7c4..cd8dc2de 100644 --- a/docs/software/sciapps/cp2k.md +++ b/docs/software/sciapps/cp2k.md @@ -15,6 +15,9 @@ transition state optimization using NEB or dimer method. See [CP2K Features] for [CP2K] is provided on [ALPS][platforms-on-alps] via [uenv][ref-uenv]. Please have a look at the [uenv documentation][ref-uenv] for more information about uenvs and how to use them. +!!! note "Known issues" + Please check CP2K's [known issues](#known-issues) and whether they are relevant to your work. They may impact your calculations in subtle ways, potentially leading to a waste of resources. + ??? note "Changelog" ??? note "2025.1" From a248b731c614b0d6638d0de56cc0e994aa9ddb57 Mon Sep 17 00:00:00 2001 From: Augustin Bussy Date: Tue, 22 Jul 2025 11:21:34 +0200 Subject: [PATCH 2/2] Upgrade to "warning" --- docs/software/sciapps/cp2k.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/software/sciapps/cp2k.md b/docs/software/sciapps/cp2k.md index cd8dc2de..709644b9 100644 --- a/docs/software/sciapps/cp2k.md +++ b/docs/software/sciapps/cp2k.md @@ -15,7 +15,7 @@ transition state optimization using NEB or dimer method. See [CP2K Features] for [CP2K] is provided on [ALPS][platforms-on-alps] via [uenv][ref-uenv]. Please have a look at the [uenv documentation][ref-uenv] for more information about uenvs and how to use them. -!!! note "Known issues" +!!! warning "Known issues" Please check CP2K's [known issues](#known-issues) and whether they are relevant to your work. They may impact your calculations in subtle ways, potentially leading to a waste of resources. ??? note "Changelog"