Accepted cp2k 2023.1-1 (source) into experimental
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Hash: SHA256
Format: 1.8
Date: Sat, 07 Jan 2023 23:43:15 +0100
Source: cp2k
Architecture: source
Version: 2023.1-1
Distribution: experimental
Urgency: medium
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Michael Banck <mbanck@debian.org>
Changes:
cp2k (2023.1-1) experimental; urgency=medium
.
* New upstream release, new features include:
+ Gradients for SOS-MP2 and RPA
+ GAPW/GAPW_XC and ADMM/GAPW options for TDDFT/Linear Response
+ Excited state forces as property for TDDFT
+ Allow for XC correction in ADMM RI-RPA
+ Velocity gauge and magnetic delta pulse in RTP
+ Automatically extrapolate k-point mesh in GW
+ Add vdW options to xTB
+ Raman intensities in vibrational analysis
+ Improved NewtonX interface
+ Variational Density-Corrected DFT (DC-DFT) for EC
+ Updated active space interface
.
[ Debian Janitor ]
* debian/control (cp2k-data): Add Multi-Arch: foreign.
.
[ Michael Banck ]
* debian/watch: Updated.
* debian/control (Build-Depends): Bump libelpa-dev to 2022.11.001-1.
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