GROMACS development

Today

03:57 PM GROMACS Revision 1af15f19: Improve clang-analyzer build time

The tests for selection and utility modules take a long time to
link, so these are moved earlier in the CMake so that...

11:16 AM GROMACS Revision d4ac97dc: Fix release matrix

Change-Id: Ieacbb36daa10077e98bf23058c6c261560ad8be2

08/21/2019

03:46 AM GROMACS Revision e9a88558: Improve organization of LINCS reporting

Some result fields were being re-used in a way that was hard
to understand. Also static analyzers could not see that ...

08/20/2019

08:45 PM GROMACS Revision f7754527: Apply clang-tidy-8 readability-uppercase-literal-suffix

This new check in clang-tidy-8 seems useful enough to activate, even
if only so people get used to reading code that ...

08:45 PM GROMACS Revision 286baa3d: Use potential-shift as default modifier

The potential-shift-verlet modifier is no longer useful, as
potential-shift was the default with the only cut-off sch...

03:14 PM GROMACS Revision 395eee7b: Reduce cosine acceleration quantity properly

The momenta should be redueced in compute_globals only when there
actually is cosine acceleration
Change-Id: Id42dbf...

10:38 AM GROMACS Revision 2cafe3db: Fix issues for clang-analyzer-8

pdb2gmx can no longer attempt to add a vsite after issuing a warning
that it cannot convert an atom, instead exiting ...

08/19/2019

09:04 PM GROMACS Revision 0004e9e8: Modernize t_matrix, t_mapping, t_rgb

This supports removing some manual string handling that regularly
troubles e.g. the static analyzer.
Made more use o...

04:30 PM GROMACS Revision b8c9e80f: Modernize t_psdata

This is useful in itself, but mainly prepares to modernize other users
of t_rgb, which need it to have a constructor....

08/16/2019

09:15 PM GROMACS Task #3007 (Resolved): Install and update testing to add gcc-9

Applied in changeset commit:ed91e159f0ef4cc3e5a398eed314eb7119de3ec5.