//! Storage for atom partial charges.
std::vector<real> charges;
//! Atom info where all atoms are marked to have Van der Waals interactions
- std::vector<int> atomInfoAllVdw;
+ std::vector<int64_t> atomInfoAllVdw;
//! Atom info where only oxygen atoms are marked to have Van der Waals interactions
- std::vector<int> atomInfoOxygenVdw;
+ std::vector<int64_t> atomInfoOxygenVdw;
//! Information about exclusions.
ListOfLists<int> excls;
//! Storage for atom positions.