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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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