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Name: votca-csg-common | 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: 759491 | Source RPM: votca-csg-1.4.1-lp152.3.10.src.rpm |
Packager: https://bugs.opensuse.org | |
Url: http://www.votca.org | |
Summary: Architecture-independent data files for VOTCA CSG |
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 architecture-independent data files for VOTCA CSG.
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
/usr/share/votca /usr/share/votca/rc /usr/share/votca/rc/csg-completion.bash /usr/share/votca/scripts /usr/share/votca/scripts/inverse /usr/share/votca/scripts/inverse/CsgFunctions.pm /usr/share/votca/scripts/inverse/CsgSimplex.pm /usr/share/votca/scripts/inverse/add_POT.pl /usr/share/votca/scripts/inverse/add_pot_generic.sh /usr/share/votca/scripts/inverse/calc_density_generic.sh /usr/share/votca/scripts/inverse/calc_kbint.sh /usr/share/votca/scripts/inverse/calc_pressure_gromacs.sh /usr/share/votca/scripts/inverse/calc_rdf_generic.sh /usr/share/votca/scripts/inverse/calc_target_rdf_generic.sh /usr/share/votca/scripts/inverse/clean_generic.sh /usr/share/votca/scripts/inverse/cma.py /usr/share/votca/scripts/inverse/cma_processor.py /usr/share/votca/scripts/inverse/configuration_compare.py /usr/share/votca/scripts/inverse/convergence_check_default.sh /usr/share/votca/scripts/inverse/csg_table /usr/share/votca/scripts/inverse/dist_adjust.pl /usr/share/votca/scripts/inverse/dist_boltzmann_invert.pl /usr/share/votca/scripts/inverse/dpot_crop.pl /usr/share/votca/scripts/inverse/dummy.sh /usr/share/votca/scripts/inverse/functions_common.sh /usr/share/votca/scripts/inverse/functions_dlpoly.sh /usr/share/votca/scripts/inverse/functions_genericsim.sh /usr/share/votca/scripts/inverse/functions_gromacs.sh /usr/share/votca/scripts/inverse/imc_purify.sh /usr/share/votca/scripts/inverse/imc_stat_generic.sh /usr/share/votca/scripts/inverse/imcdata_from_blocks.octave /usr/share/votca/scripts/inverse/initialize_step_generic.sh /usr/share/votca/scripts/inverse/initialize_step_genericsim.sh /usr/share/votca/scripts/inverse/initialize_step_optimizer.sh /usr/share/votca/scripts/inverse/initialize_step_re.sh /usr/share/votca/scripts/inverse/inverse.sh /usr/share/votca/scripts/inverse/kbibi_ramp_correction.pl /usr/share/votca/scripts/inverse/linsolve.m /usr/share/votca/scripts/inverse/linsolve.octave /usr/share/votca/scripts/inverse/linsolve.py /usr/share/votca/scripts/inverse/lj_126.pl /usr/share/votca/scripts/inverse/merge_tables.pl /usr/share/votca/scripts/inverse/optimizer_parameters_to_potential.sh /usr/share/votca/scripts/inverse/optimizer_prepare_state.sh /usr/share/votca/scripts/inverse/optimizer_state_to_mapping.sh /usr/share/votca/scripts/inverse/optimizer_state_to_potentials.sh /usr/share/votca/scripts/inverse/optimizer_target_density.sh /usr/share/votca/scripts/inverse/optimizer_target_pressure.sh /usr/share/votca/scripts/inverse/optimizer_target_rdf.sh /usr/share/votca/scripts/inverse/post_add.sh /usr/share/votca/scripts/inverse/post_add_single.sh /usr/share/votca/scripts/inverse/post_update_generic.sh /usr/share/votca/scripts/inverse/post_update_generic_single.sh /usr/share/votca/scripts/inverse/post_update_re_single.sh /usr/share/votca/scripts/inverse/postadd_acc_convergence.sh /usr/share/votca/scripts/inverse/postadd_average.sh /usr/share/votca/scripts/inverse/postadd_compress.sh /usr/share/votca/scripts/inverse/postadd_convergence.sh /usr/share/votca/scripts/inverse/postadd_copyback.sh /usr/share/votca/scripts/inverse/postadd_dummy.sh /usr/share/votca/scripts/inverse/postadd_overwrite.sh /usr/share/votca/scripts/inverse/postadd_plot.sh /usr/share/votca/scripts/inverse/postadd_shift.sh /usr/share/votca/scripts/inverse/postupd_addlj.sh /usr/share/votca/scripts/inverse/postupd_cibi_correction.sh /usr/share/votca/scripts/inverse/postupd_extrapolate.sh /usr/share/votca/scripts/inverse/postupd_kbibi_correction.sh /usr/share/votca/scripts/inverse/postupd_pressure.sh /usr/share/votca/scripts/inverse/postupd_scale.sh /usr/share/votca/scripts/inverse/postupd_smooth.sh /usr/share/votca/scripts/inverse/postupd_splinesmooth.sh /usr/share/votca/scripts/inverse/potential_extrapolate.sh /usr/share/votca/scripts/inverse/potential_shift.pl /usr/share/votca/scripts/inverse/potential_to_dlpoly.sh /usr/share/votca/scripts/inverse/potential_to_generic.sh /usr/share/votca/scripts/inverse/potential_to_gromacs.sh /usr/share/votca/scripts/inverse/potential_to_lammps.sh /usr/share/votca/scripts/inverse/potentials_to_dlpoly.sh /usr/share/votca/scripts/inverse/potentials_to_generic.sh /usr/share/votca/scripts/inverse/pre_update_re.sh /usr/share/votca/scripts/inverse/prepare_generic.sh /usr/share/votca/scripts/inverse/prepare_generic_single.sh /usr/share/votca/scripts/inverse/prepare_ibm.sh /usr/share/votca/scripts/inverse/prepare_imc.sh /usr/share/votca/scripts/inverse/prepare_optimizer.sh /usr/share/votca/scripts/inverse/prepare_optimizer_single.sh /usr/share/votca/scripts/inverse/prepare_re.sh /usr/share/votca/scripts/inverse/pressure_cor_simple.pl /usr/share/votca/scripts/inverse/pressure_cor_wjk.pl /usr/share/votca/scripts/inverse/resample_target.sh /usr/share/votca/scripts/inverse/run_genericsim.sh /usr/share/votca/scripts/inverse/run_gromacs.sh /usr/share/votca/scripts/inverse/simplex_downhill_processor.pl /usr/share/votca/scripts/inverse/skeleton.pl /usr/share/votca/scripts/inverse/skeleton.sh /usr/share/votca/scripts/inverse/solve_matlab.sh /usr/share/votca/scripts/inverse/solve_numpy.sh /usr/share/votca/scripts/inverse/solve_octave.sh /usr/share/votca/scripts/inverse/start_framework.sh /usr/share/votca/scripts/inverse/table_average.sh /usr/share/votca/scripts/inverse/table_change_flag.sh /usr/share/votca/scripts/inverse/table_combine.pl /usr/share/votca/scripts/inverse/table_dummy.sh /usr/share/votca/scripts/inverse/table_extrapolate.pl /usr/share/votca/scripts/inverse/table_functional.sh /usr/share/votca/scripts/inverse/table_get_value.pl /usr/share/votca/scripts/inverse/table_getsubset.py /usr/share/votca/scripts/inverse/table_integrate.pl /usr/share/votca/scripts/inverse/table_linearop.pl /usr/share/votca/scripts/inverse/table_scale.pl /usr/share/votca/scripts/inverse/table_smooth.pl /usr/share/votca/scripts/inverse/table_smooth_borders.py /usr/share/votca/scripts/inverse/table_switch_border.pl /usr/share/votca/scripts/inverse/table_to_tab.pl /usr/share/votca/scripts/inverse/table_to_xvg.pl /usr/share/votca/scripts/inverse/tables_jackknife.pl /usr/share/votca/scripts/inverse/tag_file.sh /usr/share/votca/scripts/inverse/update_ibi.sh /usr/share/votca/scripts/inverse/update_ibi_pot.pl /usr/share/votca/scripts/inverse/update_ibi_single.sh /usr/share/votca/scripts/inverse/update_ibm.sh /usr/share/votca/scripts/inverse/update_imc.sh /usr/share/votca/scripts/inverse/update_optimizer.sh /usr/share/votca/scripts/inverse/update_optimizer_single.sh /usr/share/votca/scripts/inverse/update_re.sh /usr/share/votca/template /usr/share/votca/template/CMakeLists.txt /usr/share/votca/template/CMakeModules /usr/share/votca/template/CMakeModules/FindSQLITE3.cmake /usr/share/votca/template/CMakeModules/FindVOTCA_CSG.cmake /usr/share/votca/template/CMakeModules/FindVOTCA_TOOLS.cmake /usr/share/votca/template/Makefile /usr/share/votca/template/template_serial.cc /usr/share/votca/template/template_threaded.cc /usr/share/votca/xml /usr/share/votca/xml/csg_defaults.xml /usr/share/votca/xml/mapping.xml /usr/share/votca/xml/topol.xml
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