Completely remove charge groups
authorBerk Hess <hess@kth.se>
Thu, 19 Sep 2019 14:59:26 +0000 (16:59 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 1 Oct 2019 11:23:15 +0000 (13:23 +0200)
commit94209a723061bab561c456c5fe75d077dace8d0a
tree614cde0b50fc4d8e576b1c0798f9ff80323dafcc
parent65bfc023b18c520cc59a638f7a93e7b0dc2d9d15
Completely remove charge groups

Charge groups remain in the .top and .tpr formats for backward
compatibility.

Change-Id: I9410d464dae07e0dac5bddfcc0e551c821963547
25 files changed:
src/gromacs/domdec/domdec.cpp
src/gromacs/domdec/domdec_topology.cpp
src/gromacs/domdec/partition.cpp
src/gromacs/fileio/tpxio.cpp
src/gromacs/gmxana/gmx_saltbr.cpp
src/gromacs/gmxlib/chargegroup.cpp [deleted file]
src/gromacs/gmxlib/chargegroup.h [deleted file]
src/gromacs/gmxpreprocess/grompp.cpp
src/gromacs/gmxpreprocess/grompp_impl.h
src/gromacs/gmxpreprocess/readir.cpp
src/gromacs/gmxpreprocess/readir.h
src/gromacs/gmxpreprocess/topio.cpp
src/gromacs/gmxpreprocess/toppush.cpp
src/gromacs/gmxpreprocess/toppush.h
src/gromacs/mdlib/constr.cpp
src/gromacs/mdlib/expanded.cpp
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdrun/shellfc.cpp
src/gromacs/mdrun/tpi.cpp
src/gromacs/pbcutil/pbc.cpp
src/gromacs/tools/convert_tpr.cpp
src/gromacs/topology/mtop_util.cpp
src/gromacs/topology/mtop_util.h
src/gromacs/topology/topology.cpp
src/gromacs/topology/topology.h