Initialize gmx_ekindata_t and t_vcm properly
commit1abf9bda10005fde846faf88b78047208a25d8c2
authorMark Abraham <mark.j.abraham@gmail.com>
Thu, 8 Aug 2019 13:27:29 +0000 (8 15:27 +0200)
committerArtem Zhmurov <zhmurov@gmail.com>
Thu, 8 Aug 2019 17:26:31 +0000 (8 19:26 +0200)
tree3c84380a86d8164053c2ef3ca417fe7959365e11
parenta5b4e28189d659d1454151c3ef34fcfe863dcb53
Initialize gmx_ekindata_t and t_vcm properly

Clean up in 0823a1e2e6591d76bcf15bdadfc3ec6, and 70bacbcfd639b17
left some fields initialized. The compute_globals code assumed it was
safe to reduce e.g. mvcos regardless of whether they were being used.
This is bad practice, but not a problem in the context of snew being
used for such structures.

Such fields are now initialized.

Change-Id: I12c462c9907ed34371e880cdd44ae162d44de67b
src/gromacs/mdlib/update.cpp
src/gromacs/mdlib/vcm.h
src/gromacs/mdtypes/group.h