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Hash: SHA512
Format: 1.8
Date: Mon, 24 Aug 2026 22:36:32 +0200
Source: cp2k
Architecture: source
Version: 2026.2-1
Distribution: experimental
Urgency: medium
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Michael Banck <mbanck@debian.org>
Changes:
cp2k (2026.2-1) experimental; urgency=medium
.
* New upstream release, new features include:
+ DFT+U with k-points for Mulliken methods
+ Energy Correction Harris functional with k-points
+ Lowdin population analysis for k-points
+ Wavefunction extrapolation for k-points
+ K-point symmetry reduction
+ GExt wavefunction extrapolation
+ Adaptively Compressed Exchange (ACE) option to the HFX/ADMM ground-state
path
+ Brownian chain molecular dynamics (BCMD) propagator for path integrals
+ DOS/PDOS with broadened output and k-point projections
+ Cell optimization with fixed volume
+ Constant potential (work function) grand canonical SCF for 3d-periodic
slab models
+ Planar counter charge model for grand canonical SCF
+ New Pulay mixing for grand canonical SCF
+ Solvent aware SCCS method
+ Alternative smearing methods
* debian/patches/remove_youtube_links_from_docs.patch: Removed, no longer
needed.
* debian/patches/libxc_skip_duplicate_functional_ids.patch: Likewise.
* debian/control (Build-Depends): Added python3-sphinxcontrib-youtube.
* debian/control (Build-Depends): Tighten libxc-dev version to 7.1.2.
* debian/upstream/metadata: Update URLs and add latest review article.
* debian/cp2k.examples: Updated.
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