[Debichem-devel] cp2k_2022.2-1_source.changes ACCEPTED into unstable
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Sun Oct 30 20:51:56 GMT 2022
Accepted:
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA256
Format: 1.8
Date: Sun, 30 Oct 2022 16:44:54 +0100
Source: cp2k
Architecture: source
Version: 2022.2-1
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel at lists.alioth.debian.org>
Changed-By: Michael Banck <mbanck at debian.org>
Changes:
cp2k (2022.2-1) unstable; urgency=medium
.
* New upstream release, new features include:
+ HIP support for PW
+ K-points for the GW self-energy
+ GAPW Voronoi integration
+ Improve support for metaGGA functionals
+ State following using transition charge finger print in TDDFT
+ Barostat for frozen atoms in absolute coordinate
+ Low-scaling SOS-Laplace MP2 forces
+ RPA low-scaling gradients
+ CDFT forces based on Hirshfeld partitioning
+ GW 4-center Hartree-Fock and ADMM for exchange self-energy
+ Partially occupied Wannier states
+ GAPW_XC for TDDFPT energies
+ LibXC equivalents to ADMM exchange potentials
+ Print vibrational modes for Newton-X
+ Migrate tensor operations to new sparse matrix library DBM
Checksums-Sha1:
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aaa165835996aea0eb0adf6598cdcc2c0656a4d8 15884 cp2k_2022.2-1.debian.tar.xz
ebe9036ed4ab58aa42308b988ffaf4e48634471b 7863 cp2k_2022.2-1_source.buildinfo
Checksums-Sha256:
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Files:
2dc99e79d7af2d7abf8fa032b223e4ed 2237 science optional cp2k_2022.2-1.dsc
67b5b7daef33fc6551ef330819e1eb3e 64932093 science optional cp2k_2022.2.orig.tar.bz2
cae043d6c936c2b4fc7f1f2f9d802c41 15884 science optional cp2k_2022.2-1.debian.tar.xz
dc1eff0a9d8775195066c08b49cd67c8 7863 science optional cp2k_2022.2-1_source.buildinfo
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