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Hash: SHA256
Format: 1.8
Date: Fri, 31 Dec 2021 16:37:32 +0100
Source: cp2k
Architecture: source
Version: 9.1-1
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Michael Banck <mbanck@debian.org>
Changes:
cp2k (9.1-1) unstable; urgency=medium
.
* New upstream release, new features include:
+ Forces and stress tensor for MP2-based double-hybrids
+ Forces for RI-HFX
+ Forces for TDDFT
+ Regularized RI for periodic GW
+ Beadwise constraints to PINT
+ Analytical stress tensor for NNP
+ Ghost particles and tip scan for xTB
+ GAL21 forcefield
+ Analytical derivatives of the MO coefficients with respect to nuclear
coordinates
+ Gromacs QM/MM support
+ NEWTONX interface
* Upload to unstable.
* debian/control (Build-Depends): Bump libelpa-dev to 2021.11.001-1.
* debian/patches/makeflags.patch: Bump __ELPA define to 202111..
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