Gromacs
2020-beta1
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#include "gromacs/mdtypes/group.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/classhelpers.h"
Declaration of high-level functions of CUDA implementation of update and constrain class.
This should only list interfaces needed for libgromacs clients (e.g. management of coordinates, velocities and forces should not be here).
Change "cuda" suffix to "gpu"