Remove mu_tot from compute_globals()
authorSzilárd Páll <pall.szilard@gmail.com>
Fri, 31 Jan 2020 15:40:36 +0000 (16:40 +0100)
committerPaul Bauer <paul.bauer.q@gmail.com>
Thu, 6 Feb 2020 07:48:40 +0000 (08:48 +0100)
commitc3c7e48a98abcd3bd8e215e5e16f8f35ff483eb5
tree5d5998b6a05b65d9f7c5745bd5a37f22dbda2c39
parente742ad1076578eedea2e41c3d4e5912339ac9a80
Remove mu_tot from compute_globals()

The total dipole reduction happens in do_force() and the alternative
code-path reduction in compute_globals() was only needed for log
reporting which was removed some time ago.

Change-Id: I49a2608e8c1a47959a5f0f571e38e511367c94b2
src/gromacs/mdlib/md_support.cpp
src/gromacs/mdlib/md_support.h
src/gromacs/mdlib/stat.cpp
src/gromacs/mdlib/stat.h
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/mimic.cpp
src/gromacs/mdrun/minimize.cpp
src/gromacs/mdrun/rerun.cpp
src/gromacs/modularsimulator/computeglobalselement.cpp