Simplify vsite PBC handling
authorBerk Hess <hess@kth.se>
Tue, 16 Apr 2019 20:59:03 +0000 (22:59 +0200)
committerBerk Hess <hess@kth.se>
Wed, 17 Apr 2019 19:39:58 +0000 (21:39 +0200)
commitc507ae4d3f4b0d516e53896dac35a52911a8a44b
treee9f8be513bb3ea87732a3678849d77d981ff9827
parente03f7387bc7553ca0b25a4e576e9d19ea37bca84
Simplify vsite PBC handling

Since we no longer support charge groups, removed the (complex)
vsite pbc tracking code.
Also changed the inter charge group vsite counting to inter update
groups counting, so we can avoid PBC calculation with update groups.

Change-Id: Iebaee9a25e761d38c571563fd0814b57e15c7e5f
src/gromacs/domdec/domdec.cpp
src/gromacs/domdec/domdec.h
src/gromacs/domdec/domdec_topology.cpp
src/gromacs/domdec/partition.cpp
src/gromacs/mdlib/vsite.cpp
src/gromacs/mdlib/vsite.h