Moved domdec structures out of commrec.h.
commit1cd9683a35e0486d9a5e4e3fe82817e4040694aa
authorDavid van der Spoel <spoel@xray.bmc.uu.se>
Sat, 21 Nov 2015 14:27:16 +0000 (21 15:27 +0100)
committerDavid van der Spoel <spoel@xray.bmc.uu.se>
Mon, 23 Nov 2015 14:11:54 +0000 (23 15:11 +0100)
tree82be92c89e29f53a86bf8ec2349bda776798378b
parent6abe0013f578c66ca609ceb785ff88794e2d407f
Moved domdec structures out of commrec.h.

In order to clean up the legacyheaders directory here the
structures relating to domain decomposition are taken out of
commrec.h and moved to a new file domdec/domdec_struct.h

To not introduce new cyclic dependencies modified the
interface of write_checkpoint and gmx_fatal_collective.

Part of #1415

Change-Id: I485a03eddbb87dcc236b7e2e7d85d03383d86f61
52 files changed:
src/gromacs/domdec/domdec.cpp
src/gromacs/domdec/domdec_box.cpp
src/gromacs/domdec/domdec_constraints.cpp
src/gromacs/domdec/domdec_internal.h
src/gromacs/domdec/domdec_network.cpp
src/gromacs/domdec/domdec_setup.cpp
src/gromacs/domdec/domdec_specatomcomm.cpp
src/gromacs/domdec/domdec_specatomcomm.h
src/gromacs/domdec/domdec_struct.h [copied from src/gromacs/legacyheaders/types/commrec.h with 63% similarity]
src/gromacs/domdec/domdec_topology.cpp
src/gromacs/domdec/domdec_vsite.cpp
src/gromacs/essentialdynamics/edsam.cpp
src/gromacs/ewald/pme-load-balancing.cpp
src/gromacs/ewald/pme-pp.cpp
src/gromacs/fileio/checkpoint.cpp
src/gromacs/fileio/checkpoint.h
src/gromacs/gmxana/gmx_pme_error.cpp
src/gromacs/gmxlib/gmx_detect_hardware.cpp
src/gromacs/gmxlib/network.cpp
src/gromacs/gmxlib/network.h
src/gromacs/imd/imd.cpp
src/gromacs/legacyheaders/types/commrec.h
src/gromacs/mdlib/clincs.cpp
src/gromacs/mdlib/constr.cpp
src/gromacs/mdlib/coupling.cpp
src/gromacs/mdlib/force.cpp
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdlib/genborn.cpp
src/gromacs/mdlib/groupcoord.cpp
src/gromacs/mdlib/groupcoord.h
src/gromacs/mdlib/mdoutf.cpp
src/gromacs/mdlib/minimize.cpp
src/gromacs/mdlib/nbnxn_grid.cpp
src/gromacs/mdlib/nbnxn_search.cpp
src/gromacs/mdlib/ns.cpp
src/gromacs/mdlib/nsgrid.cpp
src/gromacs/mdlib/qmmm.cpp
src/gromacs/mdlib/shellfc.cpp
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdlib/stat.cpp
src/gromacs/mdlib/update.cpp
src/gromacs/mdlib/vsite.cpp
src/gromacs/mdlib/wnblist.cpp
src/gromacs/pbcutil/pbc.cpp
src/gromacs/pbcutil/pbc.h
src/gromacs/pulling/pull.cpp
src/gromacs/pulling/pull_rotation.cpp
src/gromacs/pulling/pullutil.cpp
src/gromacs/swap/swapcoords.cpp
src/programs/mdrun/md.cpp
src/programs/mdrun/repl_ex.cpp
src/programs/mdrun/runner.cpp