Make forcerec const in dispatchNonbondedKernel()
authorBerk Hess <hess@kth.se>
Tue, 18 Jun 2019 08:28:19 +0000 (10:28 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 18 Jun 2019 19:51:57 +0000 (21:51 +0200)
commitefa9b8e4765c2a6afad8e1aa02aff411ffa73d8c
tree6d5c97af1ffff10358dcab3c0f13b76dd6f5c4ab
parent0293bd9c09a6881aea34c17144c51594d879f5e9
Make forcerec const in dispatchNonbondedKernel()

Changed forcrecin Nbnxm::dispatchNonbondedKernel() from a pointer
to a const reference. The GPU emulation kernel now writes the shift
forces to nbnxn_atomdata_t.

Change-Id: I170165529ba447db9b5d1824eea10675ae1bef7d
src/gromacs/mdlib/sim_util.cpp
src/gromacs/nbnxm/kerneldispatch.cpp
src/gromacs/nbnxm/nbnxm.h