| 116 |
|
virtual Vector3d getInteratomicVector(int atom1, int atom2) = 0; |
| 117 |
|
|
| 118 |
|
// atom bookkeeping |
| 119 |
< |
virtual vector<int> getAtomList() = 0; |
| 120 |
< |
virtual vector<int> getSkipsForAtom(int atom1) = 0; |
| 119 |
> |
virtual int getNAtomsInRow() = 0; |
| 120 |
> |
virtual vector<int> getSkipsForRowAtom(int atom1) = 0; |
| 121 |
|
virtual bool skipAtomPair(int atom1, int atom2) = 0; |
| 122 |
|
virtual void addForceToAtomRow(int atom1, Vector3d fg) = 0; |
| 123 |
|
virtual void addForceToAtomColumn(int atom2, Vector3d fg) = 0; |
| 131 |
|
SimInfo* info_; |
| 132 |
|
SnapshotManager* sman_; |
| 133 |
|
Snapshot* snap_; |
| 134 |
+ |
ForceField* ff_; |
| 135 |
|
int storageLayout_; |
| 136 |
|
RealType skinThickness_; /**< Verlet neighbor list skin thickness */ |
| 137 |
|
|