Slight improvements to decideWhetherToUseGpuForUpdate(...)
authorArtem Zhmurov <zhmurov@gmail.com>
Tue, 22 Oct 2019 11:54:55 +0000 (13:54 +0200)
committerBerk Hess <hess@kth.se>
Wed, 23 Oct 2019 10:00:22 +0000 (12:00 +0200)
commit6e60797b68071796fd5294656aaacf004072ce21
tree520bcbd5ee08ac67113d926086537d230342b33f
parentdd905cfa1bcb3db9f70c98d6bfae6aa80da75b42
Slight improvements to decideWhetherToUseGpuForUpdate(...)

1. The boolean is passed for vsites instead of entire mdatoms structure.
2. Arguments are taken as const.
3. Whether or not the position/orientation restraints are enabled is now
   taken from topology.

Change-Id: I9d299b5e46c39af07a17af1a639907d1dd11a9bc
src/gromacs/mdrun/runner.cpp
src/gromacs/taskassignment/decidegpuusage.cpp
src/gromacs/taskassignment/decidegpuusage.h