Remove twin-range scheme
authorMark Abraham <mark.j.abraham@gmail.com>
Mon, 16 Nov 2015 23:53:35 +0000 (00:53 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 2 Dec 2015 09:50:58 +0000 (20:50 +1100)
commit1f45adef9d427db88db22da44d8d681bb2c5b01c
tree5af854e9bdc0a63334f758e922ce95b1e31c44e2
parent69d63c23d8961e029b312d6ac8a7fbebff375a51
Remove twin-range scheme

Only the group scheme supports this, and the Verlet scheme will not
support it in the foreseeable future.

Removed many uses of rlistlong, but replaced some appropriate uses
with rlist. We now have the explicit requirement that rlist >=
max(rcoulomb,rvdw).

Didn't rename variables that contain "shortrange" or "SR" since
they'll mostly disappear with the group scheme

Retained energy components that need to be retained for .edr
compatibility.

gmx compare and dump ignore the old fields

Change-Id: I6ab2ea93bfcea8510969b43e7f06f55d5f350840
39 files changed:
docs/manual/algorithms.tex
docs/manual/forcefield.tex
docs/user-guide/cutoff-schemes.rst
docs/user-guide/mdp-options.rst
src/gromacs/domdec/domdec.cpp
src/gromacs/ewald/pme-load-balancing.cpp
src/gromacs/fileio/tpxio.cpp
src/gromacs/fileio/txtdump.cpp
src/gromacs/gmxana/gmx_enemat.cpp
src/gromacs/gmxana/gmx_tune_pme.cpp
src/gromacs/gmxlib/ifunc.cpp
src/gromacs/gmxlib/nonbonded/nonbonded.cpp
src/gromacs/gmxlib/nonbonded/nonbonded.h
src/gromacs/gmxpreprocess/grompp.cpp
src/gromacs/gmxpreprocess/readir.cpp
src/gromacs/imd/imd.cpp
src/gromacs/mdlib/force.cpp
src/gromacs/mdlib/force.h
src/gromacs/mdlib/force_flags.h
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdlib/md_support.cpp
src/gromacs/mdlib/mdebin.cpp
src/gromacs/mdlib/mdrun.h
src/gromacs/mdlib/minimize.cpp
src/gromacs/mdlib/ns.cpp
src/gromacs/mdlib/ns.h
src/gromacs/mdlib/nsgrid.cpp
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdlib/tpi.cpp
src/gromacs/mdlib/update.cpp
src/gromacs/mdlib/update.h
src/gromacs/mdtypes/forcerec.h
src/gromacs/mdtypes/inputrec.cpp
src/gromacs/mdtypes/inputrec.h
src/gromacs/mdtypes/interaction_const.h
src/gromacs/tools/compare.cpp
src/gromacs/topology/idef.h
src/programs/mdrun/md.cpp
src/programs/mdrun/runner.cpp