File votca-csg.changes of Package votca-csg
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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
