Remove charge group code from forcerec
authorBerk Hess <hess@kth.se>
Thu, 19 Sep 2019 14:42:07 +0000 (16:42 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Mon, 30 Sep 2019 14:36:10 +0000 (16:36 +0200)
commitb2d55d43e708e962759cb48fe423b0680b5726d3
tree5bac953b95aa6bef9e473ab230eaa72b5c0549f5
parentf3b7c3a0cf46490a3f2c6aee07f3e926aa4df3f1
Remove charge group code from forcerec

Removed sevearal charge group members from t_forcerec.
Removed the cginfo intra-cg exclusion flags, as it is always true
for single atoms.
Removed loops over charge groups from init_cginfo_mb().

Change-Id: Ic91ea78dc341dc9972567a488294cb3d262ef9f6
src/gromacs/domdec/partition.cpp
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdlib/forcerec.h
src/gromacs/mdtypes/forcerec.h