//! C-style mdatoms struct.
unique_cptr<t_mdatoms> mdatoms_;
//! Memory for chargeA that can be set up for efficient GPU transfer.
- std::vector < real, HostAllocator < real>> chargeA_;
+ HostVector<real> chargeA_;
public:
// TODO make this private
//! Constructor.
- MDAtoms(HostAllocationPolicy policy);
+ MDAtoms();
//! Getter.
t_mdatoms *mdatoms()
{