Adjust PME LJ solver test input coefficient
authorAleksei Iupinov <a.yupinov@gmail.com>
Thu, 24 Aug 2017 15:56:25 +0000 (17:56 +0200)
committerBerk Hess <hess@kth.se>
Tue, 29 Aug 2017 06:22:24 +0000 (08:22 +0200)
commitc9a72e5d5300f0736e496e706cef0a7f124bec8a
treeb8b4195e620b9bbf7509852b059f4b9d551c5f0f
parentce5a4030f68ba8e65e476ea505ccfd94ae0442ec
Adjust PME LJ solver test input coefficient

The previous value caused one of the unit tests to fail predictably
on ARM_NEON SIMD. Coefficient was so low that it caused a specific
grid value to hover at the GMX_FLOAT_MIN threshold, which is used
to allow using same test reference data for single/double precision.

Ref #2234

Change-Id: Ia1aa51ead263e82487585abb167c4d080fd813ac
src/gromacs/ewald/tests/pmesolvetest.cpp
src/gromacs/ewald/tests/refdata/DifferentEwaldCoeffLJ_PmeSolveTest_ReproducesOutputs_0.xml
src/gromacs/ewald/tests/refdata/DifferentEwaldCoeffLJ_PmeSolveTest_ReproducesOutputs_1.xml
src/gromacs/ewald/tests/refdata/DifferentEwaldCoeffLJ_PmeSolveTest_ReproducesOutputs_2.xml
src/gromacs/ewald/tests/refdata/DifferentEwaldCoeffLJ_PmeSolveTest_ReproducesOutputs_3.xml
src/gromacs/ewald/tests/refdata/DifferentEwaldCoeffLJ_PmeSolveTest_ReproducesOutputs_4.xml
src/gromacs/ewald/tests/refdata/DifferentEwaldCoeffLJ_PmeSolveTest_ReproducesOutputs_5.xml
src/gromacs/ewald/tests/refdata/DifferentEwaldCoeffLJ_PmeSolveTest_ReproducesOutputs_6.xml
src/gromacs/ewald/tests/refdata/DifferentEwaldCoeffLJ_PmeSolveTest_ReproducesOutputs_7.xml