Commit graph

27 commits

Author SHA1 Message Date
HE Zilong
d2d9c0e403
Docs: write build timstamp to page footer, link past releases in CP2K_INPUT, add acronyms, add notes about NaN/Inf, edit convergence.md (#5579) 2026-07-13 10:55:09 +02:00
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
HE Zilong
3c427e6f4d
Docs: add troubleshooting.md, convergence.md, CONTRIBUTING.md symbolic link, and contributions to changelog (#5522) 2026-07-10 08:59:09 +02:00
SY Wang
9fc3e74bfe
Reorganize dependency and electronic-structure documentation (#5481) 2026-07-01 13:23:20 +02:00
SY Wang
23252ab802
Revise k-points documentation (#5435) 2026-06-24 18:08:30 +02:00
Dynamics of Condensed Matter
daf821cd15
Reuse symmetry-reduced SCF MOs in the Wannier90 k-point export (H. Mirhosseini)
Reuse symmetry-reduced SCF MOs in the Wannier90 k-point export.
2026-05-17 18:30:20 +02:00
Dynamics of Condensed Matter
42dbd02aed
Wannier90: export SCF k-point meshes (#5179)
Co-authored-by: Thomas D. Kuehne <tkuehne@cp2k.org>
2026-05-13 01:08:59 +02:00
Dynamics of Condensed Matter
02caa0904f
Extend k-point symmetry backends to closed GENERAL sets (#5173)
Co-authored-by: Thomas D. Kuehne <tkuehne@cp2k.org>
2026-05-13 00:19:52 +02:00
Dynamics of Condensed Matter
c92e8381f7
docs: add Quickstep getting-started material (#5100)
Co-authored-by: Thomas D. Kuehne <tkuehne@cp2k.org>
2026-04-26 12:02:00 +02:00
Augustin Bussy
f664ec648c Updates to RI-HFXk docs 2026-03-31 13:34:48 +02:00
zc62
63a7c4bee4 CNEO documentation 2025-09-03 10:35:28 +02:00
Ole Schütt
31acbd8641 Docs: Add more acronyms and empty k-point page 2025-01-08 22:43:56 +01:00
Ole Schütt
8535040288 Docs: Fix diagram in methods/dft/gpw.md 2024-12-28 14:05:07 +01:00
Ole Schütt
02861f8d08 Docs: Intro text and flowchart to GPW page 2024-12-21 17:25:14 +01:00
Augustin Bussy
feaa26d2cd Added journal reference 2024-07-30 09:51:44 +02:00
Ole Schütt
96bff0e4cc Docs: Sprinkle in some recorded talks 2024-07-26 22:20:21 +02:00
Ole Schütt
df1522a844 Docs: Switch links to cp2k-examples repository 2024-07-25 21:16:46 +02:00
Andre Borrfors
83ed01107c fixed cutoff and rel_cutoff tutorial
squash various syntax edits

pretty
2024-05-25 23:06:56 +02:00
Ole Schütt
10d5862cfd Manual: Add support for youtube videos 2024-04-09 23:50:49 +02:00
Ole Schütt
39e565f3c0 Manual: Set TOC maxdepth=2 in subfolder indexes 2024-02-25 16:33:46 +01:00
Ole Schütt
143fc55fcf Manual: Create folder for Hartree-Fock Exchange 2024-02-23 23:20:00 +01:00
Ole Schütt
94016fe734 Manual: Add links to RI-HFX page 2024-01-26 15:55:04 +01:00
abussy
d90c47c072 RI-HFX (incl. k-points) docs/tuto 2024-01-22 11:38:57 +01:00
Ole Schütt
75a566c04f Manual: Add more links to placeholder pages 2024-01-14 15:24:48 +01:00
Ole Schütt
c078969bf9 Manual: Touch up page names and titles 2023-12-28 14:29:43 +01:00
Ole Schütt
2b6ea54d62 Format all input files 2023-12-18 22:41:19 +01:00
Ole Schütt
668feff676 Manual: Add sub-directories to methods section 2023-12-10 17:01:50 +01:00