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Name: votca-csg-tutorials | Distribution: openSUSE Leap 15.2 |
Version: 1.4.1 | Vendor: openSUSE |
Release: lp152.3.10 | Build date: Sat May 16 19:48:53 2020 |
Group: Productivity/Scientific/Chemistry | Build host: sheep84 |
Size: 14551718 | Source RPM: votca-csg-1.4.1-lp152.3.10.src.rpm |
Packager: https://bugs.opensuse.org | |
Url: http://www.votca.org | |
Summary: Tutorial documentation for VOTCA Coarse Graining Engine |
Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is a package to reduce the amount of routine work when doing systematic coarse-graining of various systems. The core is written in C++. This package contains the tutorial documentation and sample data.
Apache-2.0
* Sun Sep 03 2017 junghans@votca.org - Upgrade to 1.4.1 * fix pkg-config files * fix build with gmx-2017 * added CSG_MDRUN_OPTS to run_gromacs.sh * table_to_tab.pl: fix forces for LAMMPS * csg_inverse: warn users of bug #179 * run_gromacs.sh: check nstxout-compressed * details: https://github.com/votca/csg/blob/master/CHANGELOG.md * Thu Feb 02 2017 adam.majer@suse.de - use individual libboost-*-devel packages instead of boost-devel * Mon Oct 31 2016 jengelh@inai.de - Update descriptions. * Sat Oct 29 2016 junghans@votca.org - Upgrade to 1.4 * added cibi tutorial and manual section * xmltopologyparser: tokenize on \n and \t as well (#195) * details: https://github.com/votca/csg/blob/master/CHANGELOG.md * Tue Sep 27 2016 junghans@votca.org - Upgrade to 1.4_rc1 * switch to c++-11 * dihedral support in csg_fmatch * support for tabulated bond in >=gmx-5 * added full featured XMLTopologyReader * added regularization for IMC * changed neighborlist from std::list to std::vector * added cibi method * lots of reader bug fixes * dropped support for gromacs-4 and clean up * dropped multi_g_rdf script * dropped thermforce iteration method * moved h5md reader to hdf5 without c++ api * details: https://github.com/votca/csg/blob/master/CHANGELOG.md * Sun Aug 21 2016 jengelh@inai.de - RPM group update * Fri Aug 19 2016 junghans@votca.org - Upgrade to 1.3.1 * fixed build with >=cmake-3.4 * details: https://github.com/votca/csg/blob/master/CHANGELOG.md * Fri Jan 15 2016 junghans@votca.org - Upgrade to 1.3 * re-implemented csg_boltzmann --excl * added support for upcoming gromacs 2016 * details see 1.3 section of: https://github.com/votca/csg/blob/master/CHANGELOG.md or included CHANGELOG.md file * Thu Oct 08 2015 junghans@votca.org - Upgrade to 1.3_rc1 * details: https://github.com/votca/csg/blob/master/CHANGELOG.md * Mon Sep 08 2014 junghans@votca.org - depend on gromacs-devel instead for pkgconfig(libgmx) as gromacs-5.0 comes with libgromacs instead of libgmx
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