Renamed verlet-buffer-drift to verlet-buffer-tolerance
authorBerk Hess <hess@kth.se>
Wed, 27 Nov 2013 16:27:41 +0000 (17:27 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Mon, 2 Dec 2013 22:37:17 +0000 (23:37 +0100)
commita792ba2f2ba20d4bb8700965c2ec5f1435cf7fcc
tree0bddbe30999bbbe0cd82f53bfc90384afc2aae69
parent5b996fa8d04a046edcc0c8c414956952da159e6c
Renamed verlet-buffer-drift to verlet-buffer-tolerance

Old mdp files are still processed correctly.
Also let mdrun tune nstlist with CPU-only runs. Added mdrun option
-nstlist to set nstlist manually.

Change-Id: Iac2c2b480c1f7f4233e57af6740424715c1bd1f1
14 files changed:
manual/algorithms.tex
share/html/online/mdp_opt.html
src/gromacs/fileio/tpxio.c
src/gromacs/gmxlib/txtdump.c
src/gromacs/gmxpreprocess/calc_verletbuf.c
src/gromacs/gmxpreprocess/calc_verletbuf.h
src/gromacs/gmxpreprocess/readir.c
src/gromacs/legacyheaders/mdrun.h
src/gromacs/legacyheaders/types/inputrec.h
src/gromacs/mdlib/nbnxn_search.c
src/programs/gmx/grompp.c
src/programs/gmx/tpbcmp.c
src/programs/mdrun/mdrun.cpp
src/programs/mdrun/runner.c