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(parent: 1ee9aa4) | patch
Fixing a problem when dhdl and replex are not multiples
authorMichael Shirts <michael.shirts@virginia.edu>
Wed, 19 Jun 2013 02:31:32 +0000 (22:31 -0400)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Thu, 20 Jun 2013 14:21:32 +0000 (16:21 +0200)
commit483decfb7d7f53fb69dc7f13f128a3a66fe4d14e
tree1423c21e89d336c9a999d3b8d46af6d0a6c7dffctree | snapshot
parent1ee9aa497a4e6ade70a24d5884cce0a064e572a2commit | diff
Fixing a problem when dhdl and replex are not multiples

Problems is fixed by guaranteeing the free energy information
is now updated at a frequency that is the greatest common
denominator of the relevant internal variables.

An existing gcd function was taken from gmx_genion and put
in the include/maths.h file.

Change-Id: I7473185ab02c7c9a7557fbaa165bb20b63bafb7a
include/maths.h diff | blob | history
src/kernel/md.c diff | blob | history
src/tools/gmx_genion.c diff | blob | history
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