Move non-bonded initialization out of the forcerec
authorArtem Zhmurov <zhmurov@gmail.com>
Tue, 4 Feb 2020 10:51:45 +0000 (11:51 +0100)
committerArtem Zhmurov <zhmurov@gmail.com>
Wed, 5 Feb 2020 20:37:09 +0000 (21:37 +0100)
commitdb04849bfe8d1d7640201d6b075847bdced5ebb4
tree96f8fcd6a5fadb7a19ebafc8d6855d763fbb1469
parent4321ccf2adeb0fc3454ea409f275cff217248583
Move non-bonded initialization out of the forcerec

Forcerec should not be responsible for initializing modules.

Change-Id: I666075fe03441c815b191f1eb3809e294c62d541
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdlib/forcerec.h
src/gromacs/mdrun/runner.cpp
src/gromacs/nbnxm/nbnxm.h
src/gromacs/nbnxm/nbnxm_setup.cpp
src/gromacs/topology/mtop_util.cpp
src/gromacs/topology/mtop_util.h