File votca-csg.changes of Package votca-csg
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Sun Sep 3 13:26:48 UTC 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
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Thu Feb 2 15:33:37 UTC 2017 - adam.majer@suse.de
- use individual libboost-*-devel packages instead of boost-devel
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Mon Oct 31 00:21:06 UTC 2016 - jengelh@inai.de
- Update descriptions.
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Sat Oct 29 21:31:14 UTC 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
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Tue Sep 27 18:14:08 UTC 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
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Sun Aug 21 12:05:33 UTC 2016 - jengelh@inai.de
- RPM group update
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Fri Aug 19 21:35:35 UTC 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
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Fri Jan 15 23:14:20 UTC 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
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Thu Oct 8 10:33:32 UTC 2015 - junghans@votca.org
- Upgrade to 1.3_rc1
* details: https://github.com/votca/csg/blob/master/CHANGELOG.md
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Mon Sep 8 14:57:07 UTC 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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Fri Sep 5 22:00:07 UTC 2014 - junghans@votca.org
- Update to 1.2.4
- support for Gromacs 5.0
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Fri Dec 6 14:40:08 UTC 2013 - junghans@votca.org
- clean up for inclusion in OpenSuse:Factory
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Thu Oct 31 04:10:56 UTC 2013 - junghans@votca.org
- Upgrade to 1.2.3
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Sun Aug 28 11:06:21 UTC 2011 - kkaempf@suse.com
- Upgrade to 1.2.1
- fixed lib soname, adapt BuildRequires
- csg_inverse: improve initial guess of the potential
- csg_inverse: fixes for min!=0
- table_extrapolate.pl: fixed flags and first point
- fixed tf iteration for multiple components
- fixed round-off error in grid search and csg_calc
- csg_inverse: typo fixed and additional checks
- Version 1.2 (SuperDoris)
- changed buildsystem to cmake
- added thermforce iteration method
- added csg_density
- a lot of framework clean up
- added type selector name:*
- allow long and restart of simulations
- Version 1.1.2
- fixed head of votca-csg manpage
- csg_fmatch: added support for known forces (--trj-force option)
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Thu Mar 3 08:41:17 UTC 2011 - kkaempf@novell.com
- Upgrade to 1.1.1
- parallel analysis using threads, some tools have a '--nt'
option (e.g. fast parallel rdf calculation using grid search)
- new spline types in csg_resample (akima, linear)
- csg_inverse has about 25 new xml options (post-processing,
run control, ...)
- the manual is included as pdf
- boundary treatment is done internally, no need to run trjconv
anymore
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Mon Dec 6 08:07:04 UTC 2010 - kkaempf@novell.com
- Initial version 1.0.1
- Add tutorials as documentation to votca-csg
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Tue Nov 30 14:19:45 UTC 2010 - junghans@votca.org
- Minor clean up
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Thu Nov 25 14:18:45 UTC 2010 - jussilehtola@fedoraproject.org
- First release
