Move natoms_mol out of gmx_molblock_t
authorBerk Hess <hess@kth.se>
Wed, 7 Mar 2018 11:53:39 +0000 (12:53 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Mon, 16 Apr 2018 07:17:56 +0000 (09:17 +0200)
commit585cff6c3b6e7f85a4def97cd081959d348a752b
tree66234b652fcb5158440a2f3d88d7fde1acb13a76
parentc7411433871452b75f08052a3f1ac3fed2dce13c
Move natoms_mol out of gmx_molblock_t

natoms_mol is derived information, so moved to MolecluleBlockIndices.

Change-Id: I10080dc8fd43bac1f1976551d66218fcc1d2c53c
15 files changed:
src/gromacs/domdec/domdec_topology.cpp
src/gromacs/fileio/tpxio.cpp
src/gromacs/gmxlib/chargegroup.cpp
src/gromacs/gmxpreprocess/grompp.cpp
src/gromacs/mdlib/broadcaststructs.cpp
src/gromacs/mdlib/membed.cpp
src/gromacs/mdlib/sim_util.cpp
src/gromacs/selection/indexutil.cpp
src/gromacs/selection/tests/toputils.cpp
src/gromacs/swap/swapcoords.cpp
src/gromacs/tools/convert_tpr.cpp
src/gromacs/topology/mtop_lookup.h
src/gromacs/topology/mtop_util.cpp
src/gromacs/topology/topology.cpp
src/gromacs/topology/topology.h