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xysun a0df33dd6a
Add MACE support interface (#5580) 
Co-authored-by: Ole Schütt <ole@schuett.name>
2026-07-20 23:42:41 +02:00
..
dft 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
electronic_structure (P)DOS: Restore default behavior of output data (#5564) 2026-07-13 16:22:13 +02:00
embedding Manual: Set TOC maxdepth=2 in subfolder indexes 2024-02-25 16:33:46 +01:00
machine_learning Add MACE support interface (#5580) 2026-07-20 23:42:41 +02:00
optimization Docs: add troubleshooting.md, convergence.md, CONTRIBUTING.md symbolic link, and contributions to changelog (#5522) 2026-07-10 08:59:09 +02:00
post_hartree_fock docs: add Quickstep getting-started material (#5100) 2026-04-26 12:02:00 +02:00
properties BSE: update references (#5515) 2026-07-03 11:19:09 +02:00
qm_mm docs: add Quickstep getting-started material (#5100) 2026-04-26 12:02:00 +02:00
sampling Expand documentation on MD and opt; add "Foreword and FAQ" (#5337) 2026-06-07 13:35:41 +02:00
semiempiricals update xTB documentation (#5383) 2026-06-12 17:39:13 -06:00