https://www.cp2k.org/ 2026-10-29T10:19:57+00:00 https://www.cp2k.org/ https://www.cp2k.org/_media/wiki:logo.png text/html 2026-10-14T08:42:20+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/dev:codestructure?rev=1791967340&do=diff CP2K Code Structure This page has been moved to <https://manual.cp2k.org/trunk/development/code-structure.html> text/html 2026-10-14T08:40:37+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/dev:codingconventions?rev=1791967237&do=diff Coding Conventions This page has been moved to <https://manual.cp2k.org/trunk/development/coding-conventions.html> text/html 2026-06-22T09:17:46+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/dev:compiler_support?rev=1782119866&do=diff This page has been moved to: <https://github.com/cp2k/cp2k/wiki/Compiler-support> text/html 2023-11-13T13:04:03+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/dev:dashboard?rev=1699880643&do=diff This page has been moved to: <https://github.com/cp2k/cp2k/blob/master/tools/dashboard/README.md> text/html 2020-08-21T10:15:13+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/dev:dbcsr_insights?rev=1598004913&do=diff DBCSR Insights Assumed square matrix with 20x20 matrix with 5x5 blocks and a 2x2 processor grid text/html 2020-08-21T10:15:13+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/dev:debugging?rev=1598004913&do=diff Debugging Debugging CP2K can be a little challenge. So suggestions and techniques here make things easier. reproducer To debug the code, one will need to have an input that reliably triggers the problem. If the bug is really hard (i.e. requires repeatedly running the testcase), finding a sufficiently small testcase is very valuable. See if the bug reproduces with few atoms, lower cutoff, small basis, energy instead of md, text/html 2026-10-14T08:44:16+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/dev:error_handling?rev=1791967456&do=diff Error Handling This page has been moved to <https://manual.cp2k.org/trunk/development/error-handling.html> text/html 2026-10-14T08:43:30+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/dev:formattingconventions?rev=1791967410&do=diff Code Formatting Conventions and Prettify Tool This page has been moved to <https://manual.cp2k.org/trunk/development/code-formatting.html> text/html 2026-10-20T16:18:00+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/dev:fypp?rev=1792513080&do=diff Fortran metaprogramming using Fypp This page has been moved to <https://manual.cp2k.org/trunk/development/preprocessing.html>. text/html 2026-04-25T21:51:43+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/dev:meetings?rev=1777153903&do=diff Developer Meetings Announcements CP2K Developer meetings are announced at <https://github.com/cp2k/cp2k/discussions> and happen two-four times per year in a virtual format. Notes * CP2K Developers Meeting 20th April 2026: * CP2K Developers Meeting 27th October 2025: * CP2K Developers Meeting 24nd February 2025: text/html 2026-10-14T08:45:00+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/dev:printkey?rev=1791967500&do=diff Printkeys This page has been moved to <https://manual.cp2k.org/trunk/development/print-keys.html> text/html 2020-08-21T10:15:13+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/dev:profiling?rev=1598004913&do=diff Profiling CP2K Why profiling ? In order to understand and improve the run-time performance of CP2K it is often needed to collect detailed timing information. This provides answers to questions such as 'how long does this subroutine take?' or 'who calls this subroutine'. This is most useful for developers, (non-expert) users rarely ever need this detailed info. text/html 2020-08-21T10:15:13+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/dev:python?rev=1598004913&do=diff Python Python is the preferred scripting language of the CP2K project. Self-Testing All python scripts should support self-testing. This means that the script can be invoked with --selftest as its sole argument. Ideally, a script's self-test consists of an exhaustive suite of unit-tests. At the very least, it should not crash or break anything. Even an empty self-test will still reveal syntax and import errors, which are the most common Python 3 compatibility issues. text/html 2020-08-21T10:15:13+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/dev:reference_counting?rev=1598004913&do=diff Reference counting Reference counting is a memory management technique (pattern), that can help to share objects, using memory more efficiently and safely. This technique can be applied to objects that are always transferred via pointers. Sharing objects text/html 2026-10-14T08:41:27+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/dev:regtesting?rev=1791967287&do=diff CP2K Regression Testing This page has been moved to <https://manual.cp2k.org/trunk/development/regtesting.html> text/html 2026-07-15T10:36:10+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/dev:release_checklist?rev=1784111770&do=diff Release Checklist 1. Check that the dashboard is green and there are no other blocking issues 2. Cut the release version git checkout -b support/v20XX.Y Edit the cp2k_version string in src/cp2k_info.F and CMakeLists.txt (⚠️ remove the Development Version). tools/build_utils/get_revision_number src >REVISION git add REVISION src/cp2k_info.F CMakeLists.txt git commit -m "Cut release version 20XX.Y" text/html 2026-10-14T08:46:02+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/dev:starting?rev=1791967562&do=diff Starting development This page has been moved to <https://manual.cp2k.org/trunk/development/onboarding.html> text/html 2026-10-22T08:17:02+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/dev:todo?rev=1792657022&do=diff Nice to Haves This is a list of nice to have features or changes in CP2K that nobody got around to do, yet. ;-) They are noted down here so we don't forget about them. Some of them may be suitable for one or more Google Summer of Code projects. External Libraries * Use GNU Scientific Library for special math functions, sorting, splines, physical constants,