Initial deactivation of group scheme.
commitce17e81d93d7416c0e2da3c941768fdd17fcfc8a
authorMark Abraham <mark.j.abraham@gmail.com>
Wed, 3 Apr 2019 13:58:39 +0000 (3 15:58 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 3 Apr 2019 15:36:37 +0000 (3 17:36 +0200)
treefa9b4faff3d0e0993c179d686b01047412047ddb
parentfdb46c874d88bc4eb1138cd751f7f56a7bdcb1de
Initial deactivation of group scheme.

mdrun now gives a fatal error with a group-scheme .tpr, so anybody
using one won't get a segfault.

do_force now only has one implementation, which suits those working
on improved force calculations.

More removal of inactive code will follow later. Noted TODO to fix the
release notes properly in such a commit.

Refs #1852

Change-Id: I3b13135565951f4d7f872ddf3b8518860eccfdb0
docs/release-notes/2020/major/removed-functionality.rst
src/gromacs/mdlib/force.h
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdlib/shellfc.cpp
src/gromacs/mdlib/shellfc.h
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/mimic.cpp
src/gromacs/mdrun/minimize.cpp
src/gromacs/mdrun/rerun.cpp
src/gromacs/mdrun/tpi.cpp