Removes memory allocation from free energy foreign lambda calcs.
authorMichael Shirts <michael.shirts@virginia.edu>
Mon, 26 Nov 2012 01:16:02 +0000 (20:16 -0500)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Tue, 27 Nov 2012 18:37:52 +0000 (19:37 +0100)
commit4b966cf1c44d954511e3c890c49e914db2cc0be3
tree9771ebf33c0a63f12a22f184a20688c73ae99e36
parent792f6b06a87085499ec82b86792ce88a4fecec57
Removes memory allocation from free energy foreign lambda calcs.

Removes the memory allocation from the free energy foreign
lambda calcs by declaring some new space in the enerd array, and
reinitializing only this space. Also makes the foreign lambda
calcs conditional on the group scheme and the non-bonded flag.

Change-Id: I98ed2f6ff45a4d33f9aa7dbde91364cf56c38eae
include/bondf.h
include/force.h
include/types/forcerec.h
src/gmxlib/bondfree.c
src/mdlib/force.c
src/mdlib/sim_util.c