cp2k/tools
Stefano Battaglia ad1d558f05
refactor: Remove OneDFT branding from GauXC interface (#5563)
Co-authored-by: Copilot <223556219+Copilot@users.noreply.github.com>
2026-07-10 09:05:04 +02:00
..
benchmark_plots precommit: Update Python packages and re-format 2026-02-24 17:11:52 +01:00
build_utils precommit: Update Python packages and re-format 2026-02-24 17:11:52 +01:00
conventions Precommit: check for CPASSERT(.FALSE.), and empty CPABORT() (#5491) 2026-07-03 12:09:01 +02:00
coverage Reformat with black 23.3.0 2023-05-02 12:31:58 +02:00
cubecruncher Write cube values with explicit three-digit exponents (#5245) 2026-05-19 05:38:47 +02:00
dashboard Use pdbg for Rawhide tester (#5419) 2026-06-22 13:28:55 +02:00
docker make_cp2k.sh: Use Spack v1.2.0 (#5546) 2026-07-08 12:39:19 +02:00
doxify "Make it nice": GFN2-xTB (#5162) 2026-05-10 01:34:44 +02:00
f77_interface Format all input files 2023-12-18 22:41:19 +01:00
fedora RPM-build: Temporarily disable SMM backend until LibXS is provided in Fedora repo (#5373) 2026-06-08 17:47:24 +02:00
Fun2D precommit: Add simple Makefile formatter 2022-02-07 10:02:03 +01:00
hfx_tools Fix various shellcheck warnings 2022-01-28 11:55:35 +01:00
input_editing Introduce @FFTYPE directive 2024-01-15 23:09:52 +01:00
libint Toolchain: Avoid additional dependencies of libint and rollback COSMA upgrade (#5072) 2026-04-18 18:17:31 +02:00
logo Reformat with black 23.3.0 2023-05-02 12:31:58 +02:00
maple2f90 Python: PEP8 fixes (#1926) 2022-02-03 11:35:01 +01:00
minimax_tools update to 2026 2026-01-01 16:06:41 +01:00
pao-ml Docker: Upgrade python packages (#5172) 2026-05-12 13:31:01 +02:00
precommit [cmake] Cleanup accross the entire build system (#5527) 2026-07-04 20:36:14 +02:00
regtesting Fix Wannier90 k-point export path for symmetry-reconstructed SCF MOs (#5233) 2026-05-17 22:20:32 +02:00
scriptmini Fix typo 2020-03-12 16:48:53 +01:00
spack Drop local spack recipe for libfci (#5567) 2026-07-09 20:53:15 +02:00
toolchain refactor: Remove OneDFT branding from GauXC interface (#5563) 2026-07-10 09:05:04 +02:00
vibronic_spec Docker: Upgrade python packages (#5172) 2026-05-12 13:31:01 +02:00
diff_cp2k.py Updated tools/diff_cp2k.py (#3926) 2025-01-31 11:12:04 +01:00
fix_unused_public.py Reformat with black 23.3.0 2023-05-02 12:31:58 +02:00
pre-commit-install.sh pre-commit-install: fix install of golang shfmt pre-commit hook 2021-08-02 17:23:13 +02:00
rixs_postprocess.py Resonant Inelastic X-ray Spectroscopy (RIXS) Module 2025-07-22 16:39:38 +02:00
trajana.f90 Remove tabs and trailing spaces 2021-03-11 20:06:46 +01:00