Use reduced default tolerances for tpx comparison
authorErik Lindahl <erik@kth.se>
Sun, 17 Dec 2017 10:03:17 +0000 (11:03 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 19 Dec 2017 00:57:18 +0000 (01:57 +0100)
commitfc0b6a720137828e1071799526d918947494e9c2
tree3b4500dad724e8aaf1ae1cad650acbc2642bb8b1
parentf9978da6fe744fa3874049cdbcb2ab4579fa8e40
Use reduced default tolerances for tpx comparison

The tolerances for gmx check are mainly intended
for handling slight statistical deviations, but they
can hide differences between tpr files, when the
user likely wants exact checks. This changes
changes the default relative tolerance to 0.000001
and the absolute tolerance to zero, so that we only
allow for minor differences due to compiler optimization.

Fixes #2024.

Change-Id: I55b882a194d931bf5c36541e25339b6e1eb0a1e4
src/gromacs/tools/check.cpp