t_nrnb* nrnb) const;
//! Updates all the atom properties in Nbnxm
- void setAtomProperties(gmx::ArrayRef<const int> atomTypes,
- gmx::ArrayRef<const real> atomCharges,
- gmx::ArrayRef<const int> atomInfo) const;
+ void setAtomProperties(gmx::ArrayRef<const int> atomTypes,
+ gmx::ArrayRef<const real> atomCharges,
+ gmx::ArrayRef<const int64_t> atomInfo) const;
/*!\brief Convert the coordinates to NBNXM format for the given locality.
*
const gmx::UpdateGroupsCog* updateGroupsCog,
gmx::Range<int> atomRange,
real atomDensity,
- gmx::ArrayRef<const int> atomInfo,
+ gmx::ArrayRef<const int64_t> atomInfo,
gmx::ArrayRef<const gmx::RVec> x,
int numAtomsMoved,
const int* move);
*/
void nbnxn_put_on_grid_nonlocal(nonbonded_verlet_t* nb_verlet,
const struct gmx_domdec_zones_t* zones,
- gmx::ArrayRef<const int> atomInfo,
+ gmx::ArrayRef<const int64_t> atomInfo,
gmx::ArrayRef<const gmx::RVec> x);
/*! \brief Check if GROMACS has been built with GPU support.