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Name: votca-csg-doc | Distribution: SUSE Linux Enterprise 15 SP5 |
Version: 1.6.4 | Vendor: openSUSE |
Release: bp155.2.13 | Build date: Mon May 22 12:27:03 2023 |
Group: Documentation/Other | Build host: sheep84 |
Size: 1242124 | Source RPM: votca-csg-1.6.4-bp155.2.13.src.rpm |
Packager: https://bugs.opensuse.org | |
Url: http://www.votca.org | |
Summary: Manual 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 PDF manual.
Apache-2.0
* Tue Jan 12 2021 Christoph Junghans <junghans@votca.org> - Update to 1.6.4 - fix exclusion creation in csg_boltzmann ([gh#votca/csg#624], [gh#votca/csg#625]) * Wed Dec 09 2020 Christoph Junghans <junghans@votca.org> - Update to 1.6.3 - fix test dependencies for parallel ctest ([gh#votca/csg#585]) - fix trigger for gmx-2020 warning in run_gromacs.sh ([gh#votca/csg#591]) - switch to ghcr.io for CI ([gh#votca/csg#595]) - format code with clang-11 ([gh#votca/csg#605]) - add gmx2021 builds to CI ([gh#votca/csg#607]) - remove set-env call from CI ([gh#votca/csg#608]) - use master .clang-format in format action ([gh#votca/csg#610]) - strip windows line endings in readers ([gh#votca/csg#614]) * Sat Aug 22 2020 Christoph Junghans <junghans@votca.org> - Update to 1.6.2 - move CI to GitHub Actions ([gh#votca/csg#563], [gh#votca/csg#567], [gh#votca/csg#569]) - add max scaling parameter to pressure correction ([gh#votca/csg#565]) - fix test dependencies for parallel ctest ([gh#votca/csg#573]) - fix multicomponent imc ([gh#votca/csg#579], [gh#votca/csg#581]) * Thu Aug 20 2020 Martin Liška <mliska@suse.cz> - Use memoryperjob constraint instead of %limit_build macro. * Wed Aug 19 2020 Guillaume GARDET <guillaume.gardet@opensuse.org> - Increase a little bit REGRESSIONTEST_TOLERANCE to make it pass on aarch64 * Mon Jun 22 2020 Christoph Junghans <junghans@votca.org> - Update to 1.6.1 - add support for cma-3 ([gh#votca/csg#158]) - allow special characters in build directory ([gh#votca/csg#521]) - fix CI on Ubuntu-20.04 ([gh#votca/csg#526]) - drop support for gmx 2016 ([gh#votca/csg#529], [gh#votca/csg#547]) - fix csg_reupdate and add tests ([gh#votca/csg#525]) - fix detection of lmp and gmx in cmake ([gh#votca/csg#540]) - add test for lammpsdata reader ([gh#votca/csg#544]) * Thu Jun 11 2020 Dominique Leuenberger <dimstar@opensuse.org> - Move the miscellaneous manpages from the library package to the main package. SLPP disallows non-versioned files in the shared-library package as it makes them non-parallel installable to newer versions. Additionally, the man page does not provide information of pure library users (it's a list of what tools form the csg tools). - have the main package conflict with the old library package (libvotca_csg5) that contained the man page. * Sat Apr 18 2020 Christoph Junghans <junghans@votca.org> - Update to 1.6 - enforce periodic boundaries for dihedrals ([gh#votca/csg#500]) - add warning about dihedrals ([gh#votca/csg#500]) - fix typo in option in potential_extrapolate ([gh#votca/csg#502]) - update gmx tab. potential warning ([gh#votca/csg#504]) - fix exit code with clean for potential_to_lammps.sh ([gh#votca/csg#506]) - remove obsolete link to MKL from cmake ([gh#votca/csg#508]) - fix build with Gromacs 2021 ([gh#votca/csg#510], [gh#votca/csg#511]) - warn about too long interaction in csg_stat ([gh#votca/csg#512]) - fix testing in postadd_plot.sh ([gh#votca/csg#515]) * Mon Feb 10 2020 Christoph Junghans <junghans@votca.org> - Update to 1.6_rc2 - fix inheritance bug in cmake files ([gh#votca/csg#466]) - fix build on 32-bit archs ([gh#votca/csg#473]) - fixed alignment problem in potential class ([gh#votca/csg#471]) - fix h5md reader ([gh#votca/csg#478], [gh#votca/csg#481]) - added more tests for gmx ([gh#votca/csg#489]) and gmx-2020 support ([gh#votca/csg#488]) - add support for txt2tags-3.4 ([gh#votca/csg#491]) - fix cma seed for testing ([gh#votca/csg#494]) - remove old doxygen target ([gh#votca/csg#498]) * Thu Dec 05 2019 Christoph Junghans <junghans@votca.org> - Update to 1.6_rc1 * Major CMake refactor * Improved file readers * Added more tests * Added csg_imc_solve, removing octave and python solvers * Thu Nov 21 2019 Christoph Junghans <junghans@votca.org> - Upgrade to 1.5.1 * bug fixes for gcc-5 * some bugfixes for the lammps reader * support dynamics box size in h5md * fix build on CentOs7 * Thu Oct 03 2019 Christoph Junghans <junghans@votca.org> - Disabled some test on i585 (comparison fixed in upstream master) * Thu Sep 12 2019 Christoph Junghans <junghans@votca.org> - Disable some more test on i585 * Tue Apr 02 2019 Christoph Junghans <junghans@votca.org> - fix build with boost-1.69 * Thu Jan 31 2019 Christoph Junghans <junghans@votca.org> - Upgrade to 1.5 * cmake: only run csg_dump test if bash was found * added REGRESSIONTEST_TOLERANCE cmake option * added bug fix for memory leak in bead class * added topology unit test * added support for 3 body distribution * allow usage of _ in gmx options * support espresso-4.0 * added LAMMPS data topology reader * added LAMMPS dump writer * added support for gmx-2019 * move from gsl to Eigen3 * added support for running gmx in multidir mode * extended pdb reader to read CONECT section * reworked perl interface to fix #179 * make most install locations configureable * allow to change pot extrapolation fct for LAMMPS * dropped support for gmx-5.1 * added unit and regression tests * details: https://github.com/votca/csg/blob/master/CHANGELOG.md * 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
/usr/share/doc/packages/votca-csg/votca-csg-manual-1.6.4.pdf
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