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votca-csg-tutorials-1.4.1-lp152.3.10 RPM for noarch

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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.

Provides

Requires

License

Apache-2.0

Changelog

* 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

Files

/usr/share/doc/packages/votca-csg/examples
/usr/share/doc/packages/votca-csg/examples/CMakeLists.txt
/usr/share/doc/packages/votca-csg/examples/CMakeModules
/usr/share/doc/packages/votca-csg/examples/CMakeModules/cmake_uninstall.cmake.in
/usr/share/doc/packages/votca-csg/examples/He-Ar
/usr/share/doc/packages/votca-csg/examples/He-Ar/imc
/usr/share/doc/packages/votca-csg/examples/He-Ar/imc/Ar-Ar_rdf.xvg
/usr/share/doc/packages/votca-csg/examples/He-Ar/imc/Ar-He_rdf.xvg
/usr/share/doc/packages/votca-csg/examples/He-Ar/imc/He-He_rdf.xvg
/usr/share/doc/packages/votca-csg/examples/He-Ar/imc/conf.gro
/usr/share/doc/packages/votca-csg/examples/He-Ar/imc/grompp.mdp
/usr/share/doc/packages/votca-csg/examples/He-Ar/imc/index.ndx
/usr/share/doc/packages/votca-csg/examples/He-Ar/imc/settings.xml
/usr/share/doc/packages/votca-csg/examples/He-Ar/imc/table.xvg
/usr/share/doc/packages/votca-csg/examples/He-Ar/imc/topol.top
/usr/share/doc/packages/votca-csg/examples/README
/usr/share/doc/packages/votca-csg/examples/hexane
/usr/share/doc/packages/votca-csg/examples/hexane/atomistic
/usr/share/doc/packages/votca-csg/examples/hexane/atomistic/angle.xml
/usr/share/doc/packages/votca-csg/examples/hexane/atomistic/bond.xml
/usr/share/doc/packages/votca-csg/examples/hexane/atomistic/conf.gro
/usr/share/doc/packages/votca-csg/examples/hexane/atomistic/fmatch.xml
/usr/share/doc/packages/votca-csg/examples/hexane/atomistic/grompp.mdp
/usr/share/doc/packages/votca-csg/examples/hexane/atomistic/hexane.xml
/usr/share/doc/packages/votca-csg/examples/hexane/atomistic/run.sh
/usr/share/doc/packages/votca-csg/examples/hexane/atomistic/topol.top
/usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching
/usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching/README
/usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching/fmatch_intramolecular
/usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching/fmatch_intramolecular/fmatch.xml
/usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching/fmatch_intramolecular/grompp.mdp
/usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching/fmatch_intramolecular/run.sh
/usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching/fmatch_intramolecular/topol.top
/usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching/md
/usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching/md/conf.gro
/usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching/md/fmatch_full.xml
/usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching/md/grompp.mdp
/usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching/md/hexane.xml
/usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching/md/run.sh
/usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching/md/topol.top
/usr/share/doc/packages/votca-csg/examples/hexane/ibi
/usr/share/doc/packages/votca-csg/examples/hexane/ibi/A-A.dist.tgt
/usr/share/doc/packages/votca-csg/examples/hexane/ibi/A-B.dist.tgt
/usr/share/doc/packages/votca-csg/examples/hexane/ibi/B-B.dist.tgt
/usr/share/doc/packages/votca-csg/examples/hexane/ibi/conf.gro
/usr/share/doc/packages/votca-csg/examples/hexane/ibi/grompp.mdp
/usr/share/doc/packages/votca-csg/examples/hexane/ibi/index.ndx
/usr/share/doc/packages/votca-csg/examples/hexane/ibi/run.sh
/usr/share/doc/packages/votca-csg/examples/hexane/ibi/settings.xml
/usr/share/doc/packages/votca-csg/examples/hexane/ibi/table.xvg
/usr/share/doc/packages/votca-csg/examples/hexane/ibi/table_a1.xvg
/usr/share/doc/packages/votca-csg/examples/hexane/ibi/table_b1.xvg
/usr/share/doc/packages/votca-csg/examples/hexane/ibi/topol.top
/usr/share/doc/packages/votca-csg/examples/hexane/ibi_bonded
/usr/share/doc/packages/votca-csg/examples/hexane/ibi_bonded/A-A.dist.tgt
/usr/share/doc/packages/votca-csg/examples/hexane/ibi_bonded/A-B.dist.tgt
/usr/share/doc/packages/votca-csg/examples/hexane/ibi_bonded/B-B.dist.tgt
/usr/share/doc/packages/votca-csg/examples/hexane/ibi_bonded/angle.dist.tgt
/usr/share/doc/packages/votca-csg/examples/hexane/ibi_bonded/bond.dist.tgt
/usr/share/doc/packages/votca-csg/examples/hexane/ibi_bonded/conf.gro
/usr/share/doc/packages/votca-csg/examples/hexane/ibi_bonded/grompp.mdp
/usr/share/doc/packages/votca-csg/examples/hexane/ibi_bonded/hexane_cg.xml
/usr/share/doc/packages/votca-csg/examples/hexane/ibi_bonded/index.ndx
/usr/share/doc/packages/votca-csg/examples/hexane/ibi_bonded/run.sh
/usr/share/doc/packages/votca-csg/examples/hexane/ibi_bonded/settings.xml
/usr/share/doc/packages/votca-csg/examples/hexane/ibi_bonded/table.xvg
/usr/share/doc/packages/votca-csg/examples/hexane/ibi_bonded/topol.top
/usr/share/doc/packages/votca-csg/examples/methanol
/usr/share/doc/packages/votca-csg/examples/methanol-water
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/atomistic
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/atomistic/conf.gro
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/atomistic/grompp.mdp
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/atomistic/methanol.xml
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/atomistic/methanol_opls.itp
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/atomistic/run.sh
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/atomistic/settings.xml
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/atomistic/topol.top
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/atomistic/water.xml
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/re
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/re/ME-ME.aa.rdf
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/re/ME-ME.param.init
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/re/ME-WT.aa.rdf
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/re/ME-WT.param.init
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/re/WT-WT.aa.rdf
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/re/WT-WT.param.init
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/re/conf.gro
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/re/grompp.mdp
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/re/index.ndx
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/re/run.sh
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/re/settings.xml
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/re/table.xvg
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/re/topol.top
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/simplex
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/simplex/ME-ME.aa.rdf
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/simplex/ME-ME.simplex.in
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/simplex/ME-WT.aa.rdf
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/simplex/ME-WT.simplex.in
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/simplex/WT-WT.aa.rdf
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/simplex/WT-WT.simplex.in
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/simplex/conf.gro
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/simplex/function_CKDg_ME_ME.in
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/simplex/function_CKDg_ME_WT.in
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/simplex/function_CKDg_WT_WT.in
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/simplex/function_rdf_weight.in
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/simplex/grompp.mdp
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/simplex/grompp.prep.mdp
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/simplex/index.ndx
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/simplex/run.sh
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/simplex/settings.xml
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/simplex/table.xvg
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.062/simplex/topol.top
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.5
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.5/atomistic
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/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.5/atomistic/grompp.mdp
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.5/atomistic/methanol.xml
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.5/atomistic/methanol_opls.itp
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.5/atomistic/run.sh
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.5/atomistic/settings.xml
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.5/atomistic/topol.top
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.5/atomistic/water.xml
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.5/re
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/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.5/re/ME-ME.param.init
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.5/re/ME-WT.aa.rdf
/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.5/re/ME-WT.param.init
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/usr/share/doc/packages/votca-csg/examples/methanol-water/X_0.5/re/grompp.mdp
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Fabrice Bellet, Tue Apr 9 11:50:38 2024