const rvec lowerCorner = { 0, 0, 0 };
const rvec upperCorner = { system.box[XX][XX], system.box[YY][YY], system.box[ZZ][ZZ] };
- gmx::ArrayRef<const int> atomInfo;
+ gmx::ArrayRef<const int64_t> atomInfo;
if (options.useHalfLJOptimization)
{
atomInfo = system.atomInfoOxygenVdw;