Remove heuristic group-scheme neighbour-list updates
authorMark Abraham <mark.j.abraham@gmail.com>
Thu, 3 Oct 2013 19:05:00 +0000 (21:05 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Sat, 13 Dec 2014 10:41:49 +0000 (11:41 +0100)
commit7c6185b41e4bf224c487b7d9c705f879cd323e4f
treea9edcdbf49ff2ec426e3fd8cce8cb999cdc0140c
parent4fabe99e0e651b8ae01732777d6904ef617d202e
Remove heuristic group-scheme neighbour-list updates

-1 == nstlist used to trigger the use of an algorithm that did
neighbour searching only when particles had moved far enough that
there might be a need to update the list. This supported obtaining
better energy conservation with the group cut-off scheme. It has been
superseded by the Verlet cut-off scheme.

Part of #1292

Change-Id: I074790c1c5670e874b8b587a1d46e62e2edc8961
13 files changed:
docs/manual/algorithms.tex
docs/old-html/online/mdp_opt.html
src/gromacs/gmxpreprocess/readir.c
src/gromacs/legacyheaders/ns.h
src/gromacs/legacyheaders/types/globsig.h
src/gromacs/legacyheaders/types/nlistheuristics.h [deleted file]
src/gromacs/legacyheaders/update.h
src/gromacs/mdlib/md_support.cpp
src/gromacs/mdlib/minimize.cpp
src/gromacs/mdlib/nlistheuristics.c [deleted file]
src/gromacs/mdlib/ns.c
src/gromacs/mdlib/update.cpp
src/programs/mdrun/md.cpp