Accepted cp2k 2.2.426-8 (source amd64 all)
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Hash: SHA1
Format: 1.8
Date: Fri, 19 Apr 2013 16:07:40 +0200
Source: cp2k
Binary: cp2k cp2k-data
Architecture: source amd64 all
Version: 2.2.426-8
Distribution: unstable
Urgency: high
Maintainer: Michael Banck <mbanck@debian.org>
Changed-By: Michael Banck <mbanck@debian.org>
Description:
cp2k - Ab Initio Molecular Dynamics
cp2k-data - Ab Initio Molecular Dynamics (data files)
Closes: 705746
Changes:
cp2k (2.2.426-8) unstable; urgency=high
.
* debian/patches/basis_set_error_631++Gxx.patch: New patch, fixes the
parameters of the 6-31++G** basis set, which was missing the diffuse
function, thus making it identical to the 6-31G*/6-31G** basis sets.
Patch is taken from upstream revision 12850 (Closes: #705746).
Checksums-Sha1:
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26e9ef35d288dccbd45cd55bb36bc77e1895f757 12494920 cp2k_2.2.426-8_amd64.deb
4df1a56ae8e11a1a22961a272705591ebd475c61 9357972 cp2k-data_2.2.426-8_all.deb
Checksums-Sha256:
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Files:
217c46e559fdc60471f032f8a1e62795 1734 science optional cp2k_2.2.426-8.dsc
68b75669c380307d74ead3f29ff57987 14484 science optional cp2k_2.2.426-8.debian.tar.gz
c373821874ba7e9c4adc102d30c43a31 12494920 science optional cp2k_2.2.426-8_amd64.deb
1803a98385e77066d38da73091635e7b 9357972 science optional cp2k-data_2.2.426-8_all.deb
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