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votca-csg
votca-csg.changes
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File votca-csg.changes of Package votca-csg
------------------------------------------------------------------- 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 ------------------------------------------------------------------- Fri Sep 5 22:00:07 UTC 2014 - junghans@votca.org - Update to 1.2.4 - support for Gromacs 5.0 ------------------------------------------------------------------- Fri Dec 6 14:40:08 UTC 2013 - junghans@votca.org - clean up for inclusion in OpenSuse:Factory ------------------------------------------------------------------- Thu Oct 31 04:10:56 UTC 2013 - junghans@votca.org - Upgrade to 1.2.3 ------------------------------------------------------------------- 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) ------------------------------------------------------------------- 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 ------------------------------------------------------------------- Mon Dec 6 08:07:04 UTC 2010 - kkaempf@novell.com - Initial version 1.0.1 - Add tutorials as documentation to votca-csg ------------------------------------------------------------------- Tue Nov 30 14:19:45 UTC 2010 - junghans@votca.org - Minor clean up ------------------------------------------------------------------- Thu Nov 25 14:18:45 UTC 2010 - jussilehtola@fedoraproject.org - First release
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