Fixed missing entries in nrnb arrays.
authorDavid van der Spoel <spoel@xray.bmc.uu.se>
Tue, 17 Oct 2017 20:26:21 +0000 (22:26 +0200)
committerDavid van der Spoel <spoel@xray.bmc.uu.se>
Tue, 17 Oct 2017 20:28:30 +0000 (22:28 +0200)
commitbd8f4371d44e61849405a1262502b57c11cb5d3a
treedfc3f7c6ab24394f470c7e00aa1ca9c88e8d5ff9
parentd36730ca373496906f41b2f7150caadc108c28cc
Fixed missing entries in nrnb arrays.

Some nrnb index entries were missing in the interaction_function
array, others were zero leading to that the wrong megaflops
accounting was printed.

Fixes #2274

Change-Id: Ic0b05d30eb5fdfeb7f3e822b42ec7ca4cda58bc5
src/gromacs/gmxlib/nrnb.cpp
src/gromacs/gmxlib/nrnb.h
src/gromacs/topology/ifunc.cpp