Re-implement gmx tune_pme -cpi
authorMark Abraham <mark.j.abraham@gmail.com>
Tue, 20 Jan 2015 11:09:21 +0000 (12:09 +0100)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Tue, 3 Mar 2015 16:07:57 +0000 (17:07 +0100)
commitf25c0ac60c813bea6f3b8a87b6a56caf272c2ea4
tree3ee31190c363c919470e00f146c9b9ec4e4ef1d4
parentd374dac2aba634eaaa5ad7e01736e35998b8c481
Re-implement gmx tune_pme -cpi

The previous implementation just copied mdrun, but that implementation
does things that are more complicated than tune_pme needs, and in turn
slightly complicated the implementation for mdrun.

Change-Id: Idab32148bc04f3a1c62ab78de8f77179e43317aa
src/gromacs/gmxana/gmx_tune_pme.c
src/gromacs/gmxlib/checkpoint.cpp
src/gromacs/legacyheaders/checkpoint.h
src/programs/mdrun/mdrun.cpp