| 91 |
|
void addForceToAtomColumn(int atom2, Vector3d fg); |
| 92 |
|
|
| 93 |
|
// filling interaction blocks with pointers |
| 94 |
< |
void fillInteractionData(InteractionData idat, int atom1, int atom2); |
| 95 |
< |
void unpackInteractionData(InteractionData idat, int atom1, int atom2); |
| 96 |
< |
void fillSkipData(InteractionData idat, int atom1, int atom2); |
| 94 |
> |
void fillInteractionData(InteractionData &idat, int atom1, int atom2); |
| 95 |
> |
void unpackInteractionData(InteractionData &idat, int atom1, int atom2); |
| 96 |
> |
void fillSkipData(InteractionData &idat, int atom1, int atom2); |
| 97 |
|
|
| 98 |
|
private: |
| 99 |
|
void createGtypeCutoffMap(); |