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Fixes, updates, and improvements for the 2019.2.0 Sire release
No due date•1/4 issues closedFixes, updates, and improvements for the 2019.2.0 Sire release.
No due date•3/3 issues closed- No due date•1/1 issues closed
2015 Release of sire with focus on: somd (nautilus) (somd-fernrg)
Due by September 24, 2015•15/15 issues closedModify gradient and energy calcualtions in such a way that in principle various free energy methods can be used for the analysis from the data generation with Sire: e.g. TI, BAR, but also other options.
Due by May 30, 2015•1/1 issues closedFirst 'release' of Sire from Github. - Review installation (+ instructions) - Review versioning - Review licence - Review existing documentation
Due by May 14, 2015•4/4 issues closed