Unify initialization of GPU and CPU SETTLE
commitebbe741dccc085eae3f07c1dc3962caec1d39e3a
authorArtem Zhmurov <zhmurov@gmail.com>
Fri, 29 May 2020 10:51:49 +0000 (29 10:51 +0000)
committerMark Abraham <mark.j.abraham@gmail.com>
Fri, 29 May 2020 10:51:49 +0000 (29 10:51 +0000)
treed8d0653612e77b88cf81d7b7d01246fba1f6e623
parentebecf2d42114b8eaad27e49901557c0bedbbdcb6
Unify initialization of GPU and CPU SETTLE

The two identical code path are now combined. Note, that that
exposes SettleParameters object and its initialization in the settle
header. But the SETTLE is contained within the Constraints object and
this header is not include anywhere else, so the exposure is minimal.
src/gromacs/mdlib/settle.cpp
src/gromacs/mdlib/settle.h
src/gromacs/mdlib/settle_gpu.cu
src/gromacs/mdlib/settle_gpu.cuh