Watch file results

component: main
debian_mangled_uversion: 2025.1
debian_uversion: 2025.1
distribution: debian
last_check: 2025-12-12 00:50:37.553118
metadata: Name: CP2K Homepage: http://www.cp2k.org Other-References: http://manual.cp2k.org/trunk/references.html Repository-Browse: http://sourceforge.net/p/cp2k/code/HEAD/tree/ Reference: - Title: "CP2K version 2.6.1, the CP2K developers group: http://www.cp2k.org" Year: 2015 URL: http://www.cp2k.org - Author: Jürg Hutter and Marcella Iannuzzi and Florian Schiffmann and Joost VandeVondele Title: "CP2K: atomistic simulations of condensed matter systems" Journal: Comp. Mol. Sci. Year: 2013 Volume: 4 Number: 1 Pages: 15-25 DOI: 10.1002/wcms.1159 URL: http://onlinelibrary.wiley.com/doi/10.1002/wcms.1159/ eprint: http://onlinelibrary.wiley.com/doi/10.1002/wcms.1159/pdf - Author: J. VandeVondele and M. Krack and F. Mohamed and M. Parrinello and T. Chassaing and J. Hutter Title: "QUICKSTEP: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach" Journal: Comp. Phys. Comm. Year: 2005 Volume: 167 Number: 2 Pages: 103-128 DOI: 10.1016/j.cpc.2004.12.014 URL: http://www.sciencedirect.com/science/article/pii/S0010465505000615 - Author: Thomas D Kuhne and Matthias Krack and Fawzi R Mohamed and Michele Parrinello Title: "Efficient and accurate Car-Parrinello-like approach to Born-Oppenheimer molecular dynamics" Journal: Phys. Rev. Lett. Year: 2007 Volume: 98 Number: 6 Pages: 066401 DOI: 10.1103/PhysRevLett.98.066401 PMID: 17358962 URL: http://prl.aps.org/abstract/PRL/v98/i6/e066401 eprint: http://prl.aps.org/pdf/PRL/v98/i6/e066401 - Author: Gerald Lippert and Jurg Hutter and Michele Parrinello Title: "A hybrid Gaussian and plane wave density functional scheme" Journal: Mol. Phys. Year: 1997 Volume: 92 Number: 3 Pages: 447-487 DOI: 10.1080/002689797170220 URL: http://www.tandfonline.com/doi/abs/10.1080/002689797170220 eprint: http://www.tandfonline.com/doi/pdf/10.1080/002689797170220 - Author: Gerald Lippert and Jurg Hutter and Michele Parrinello Title: "The Gaussian and augmented-plane-wave density functional method for ab initio molecular dynamics simulations" Journal: Theo. Chem. Acc. Year: 1999 Volume: 103 Number: 2 Pages: 124-140 DOI: 10.1007/s002140050523 URL: http://www.springerlink.com/content/7f52yxb1qy4nqawb/ eprint: http://www.springerlink.com/content/7f52yxb1qy4nqawb/fulltext.pdf - Author: Manuel Guidon and Florian Schiffmann and Jürg Hutter and Joost VandeVondele Title: "Ab initio molecular dynamics using hybrid density functionals" Journal: J. Chem. Phys. Year: 2008 Volume: 128 Number: 21 Pages: 214104 DOI: 10.1063/1.2931945 URL: http://jcp.aip.org/resource/1/jcpsa6/v128/i21/p214104_s1 - Author: Matthias Krack and Michele Parrinello Title: "All-electron ab-initio molecular dynamics" Journal: Phys. Chem. Chem. Phys. Year: 2000 Volume: 2 Number: 10 Pages: 2105-2112 DOI: 10.1039/b001167n URL: http://pubs.rsc.org/en/Content/ArticleLanding/2000/CP/b001167n eprint: http://pubs.rsc.org/en/content/articlepdf/2000/cp/b001167n
release: sid
source: cp2k
status: newer package available
upstream_url: https://github.com/cp2k/cp2k/archive/refs/tags/v2025.2.tar.gz
upstream_version: 2025.2
version: 2025.1-1.1
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